Monoterpenoids

A diverse, modified class of terpenoids comprising two isoprene units and containing oxygen functionality or missing a methyl group; they have relevance to the pharmaceutical, cosmetic, agricultural, and food industries.

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166 – 180 of 775 results

166

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4-Isopropylbenzoyl chloride, 97%

CAS: 21900-62-9 Molecular Formula: C10H11ClO Molecular Weight (g/mol): 182.647 MDL Number: MFCD03424703 InChI Key: LBSYWDTVBUZMCM-UHFFFAOYSA-N Synonym: 4-isopropylbenzoyl chloride,4-1-methylethyl benzoyl chloride,4-isopropyl-benzoyl chloride,4-iso-propyl-benzoyl chloride,4-1-methylethyl-benzoyl chloride,4-propan-2-yl benzoyl chloride,benzoyl chloride, 4-1-methylethyl,p-isopropylbenzoyl chloride,rho-isopropylbenzoyl chloride,4-isopropyl benzoyl chloride PubChem CID: 2759486 IUPAC Name: 4-propan-2-ylbenzoyl chloride SMILES: CC(C)C1=CC=C(C=C1)C(=O)Cl

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Specifications

PubChem CID	2759486
CAS	21900-62-9
Molecular Weight (g/mol)	182.647
MDL Number	MFCD03424703
SMILES	CC(C)C1=CC=C(C=C1)C(=O)Cl
Synonym	4-isopropylbenzoyl chloride,4-1-methylethyl benzoyl chloride,4-isopropyl-benzoyl chloride,4-iso-propyl-benzoyl chloride,4-1-methylethyl-benzoyl chloride,4-propan-2-yl benzoyl chloride,benzoyl chloride, 4-1-methylethyl,p-isopropylbenzoyl chloride,rho-isopropylbenzoyl chloride,4-isopropyl benzoyl chloride
IUPAC Name	4-propan-2-ylbenzoyl chloride
InChI Key	LBSYWDTVBUZMCM-UHFFFAOYSA-N
Molecular Formula	C10H11ClO

167

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Thermo Scientific Chemicals Thymolphthalein

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

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Specifications

PubChem CID	31316
CAS	125-20-2
Molecular Weight (g/mol)	430.544
MDL Number	MFCD00005909
SMILES	CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
Synonym	thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one
IUPAC Name	3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
InChI Key	LDKDGDIWEUUXSH-UHFFFAOYSA-N
Molecular Formula	C28H30O4

168

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Norbornane-2-carboxylic acid, 98%, predominantly endo isomer

CAS: 824-62-4 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00167749 InChI Key: JESWDXIHOJGWBP-UHFFFAOYNA-N Synonym: bicyclo 2.2.1 heptane-2-carboxylic acid,2-norbornanecarboxylic acid,norbornane-2-carboxylic acid,2-norbornanecarboxylic acid, endo,bicyclo 2.2.1 heptane-2-carboxylic acid, endo,exo-norbornane-2-carboxylic acid,bicyclo 2.2.1 heptane-3-carboxylic acid,2-norbornanecarboxlic acid PubChem CID: 79113 SMILES: OC(=O)C1CC2CCC1C2

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Specifications

PubChem CID	79113
CAS	824-62-4
Molecular Weight (g/mol)	140.18
MDL Number	MFCD00167749
SMILES	OC(=O)C1CC2CCC1C2
Synonym	bicyclo 2.2.1 heptane-2-carboxylic acid,2-norbornanecarboxylic acid,norbornane-2-carboxylic acid,2-norbornanecarboxylic acid, endo,bicyclo 2.2.1 heptane-2-carboxylic acid, endo,exo-norbornane-2-carboxylic acid,bicyclo 2.2.1 heptane-3-carboxylic acid,2-norbornanecarboxlic acid
InChI Key	JESWDXIHOJGWBP-UHFFFAOYNA-N
Molecular Formula	C8H12O2

169

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4-tert-Butylcyclohexanecarboxylic acid, predominantly trans, 98+%

CAS: 5451-55-8 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 MDL Number: MFCD00042622 InChI Key: QVQKEGYITJBHRQ-UHFFFAOYSA-N Synonym: trans-4-tert-butylcyclohexanecarboxylic acid,4-tert-butylcyclohexanecarboxylic acid,cis-4-tert-butylcyclohexanecarboxylic acid,trans-4-tert-butyl cyclohexanecarboxylic acid,4-tert-butyl cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, cis,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl,cis-4-tert-butylcyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, trans,qvqkegyitjbhrq-dtorhvgosa-n PubChem CID: 136759 IUPAC Name: 4-tert-butylcyclohexane-1-carboxylic acid SMILES: CC(C)(C)C1CCC(CC1)C(=O)O

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Specifications

PubChem CID	136759
CAS	5451-55-8
Molecular Weight (g/mol)	184.279
MDL Number	MFCD00042622
SMILES	CC(C)(C)C1CCC(CC1)C(=O)O
Synonym	trans-4-tert-butylcyclohexanecarboxylic acid,4-tert-butylcyclohexanecarboxylic acid,cis-4-tert-butylcyclohexanecarboxylic acid,trans-4-tert-butyl cyclohexanecarboxylic acid,4-tert-butyl cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, cis,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl,cis-4-tert-butylcyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, trans,qvqkegyitjbhrq-dtorhvgosa-n
IUPAC Name	4-tert-butylcyclohexane-1-carboxylic acid
InChI Key	QVQKEGYITJBHRQ-UHFFFAOYSA-N
Molecular Formula	C11H20O2

170

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(-)-Carveol, mixture of isomers, 97%

CAS: 99-48-9 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00869995,MFCD00062993 InChI Key: BAVONGHXFVOKBV-UHFFFAOYNA-N Synonym: carveol,p-mentha-6,8-dien-2-ol,p-mentha-1,8-dien-6-ol,1-methyl-4-isopropenyl-6-cyclohexen-2-ol,2-cyclohexen-1-ol, 2-methyl-5-1-methylethenyl,p-mentha-1 6 ,8-dien-2-ol,5-isopropenyl-2-methyl-2-cyclohexen-1-ol,--carveol,l-carveol,2-methyl-5-1-methylethenyl-2-cyclohexen-1-ol PubChem CID: 7438 ChEBI: CHEBI:23046 IUPAC Name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol SMILES: CC(=C)C1CC=C(C)C(O)C1

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Specifications

PubChem CID	7438
CAS	99-48-9
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:23046
MDL Number	MFCD00869995,MFCD00062993
SMILES	CC(=C)C1CC=C(C)C(O)C1
Synonym	carveol,p-mentha-6,8-dien-2-ol,p-mentha-1,8-dien-6-ol,1-methyl-4-isopropenyl-6-cyclohexen-2-ol,2-cyclohexen-1-ol, 2-methyl-5-1-methylethenyl,p-mentha-1 6 ,8-dien-2-ol,5-isopropenyl-2-methyl-2-cyclohexen-1-ol,--carveol,l-carveol,2-methyl-5-1-methylethenyl-2-cyclohexen-1-ol
IUPAC Name	2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
InChI Key	BAVONGHXFVOKBV-UHFFFAOYNA-N
Molecular Formula	C10H16O

171

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(1S)-(-)-Camphorsulfonylimine, 98+%

CAS: 60886-80-8 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.30 MDL Number: MFCD00013315,MFCD00064576 InChI Key: ZAHOEBNYVSWBBW-UHFFFAOYNA-N Synonym: 1s,7s-10,10-dimethyl-3-thia-4-azatricyclo 5.2.1.0<1,5> dec-4-ene-3,3-dione,1s,7s-10,10-dimethyl-3??-thia-4-azatricyclo 5.2.1.0 1 ,? dec-4-ene-3,3-dione PubChem CID: 45925640 IUPAC Name: 10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]dec-4-ene-3,3-dione SMILES: CC1(C)C2CCC11CS(=O)(=O)N=C1C2

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Specifications

PubChem CID	45925640
CAS	60886-80-8
Molecular Weight (g/mol)	213.30
MDL Number	MFCD00013315,MFCD00064576
SMILES	CC1(C)C2CCC11CS(=O)(=O)N=C1C2
Synonym	1s,7s-10,10-dimethyl-3-thia-4-azatricyclo 5.2.1.0<1,5> dec-4-ene-3,3-dione,1s,7s-10,10-dimethyl-3??-thia-4-azatricyclo 5.2.1.0 1 ,? dec-4-ene-3,3-dione
IUPAC Name	10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]dec-4-ene-3,3-dione
InChI Key	ZAHOEBNYVSWBBW-UHFFFAOYNA-N
Molecular Formula	C10H15NO2S

172

2-Methyl-5-isopropylaniline, Thermo Scientific Chemicals

CAS: 2051-53-8 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00044503 InChI Key: YKWALWNGEXPARQ-UHFFFAOYSA-N IUPAC Name: 2-methyl-5-(propan-2-yl)aniline SMILES: CC(C)C1=CC=C(C)C(N)=C1

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Specifications

CAS	2051-53-8
Molecular Weight (g/mol)	149.24
MDL Number	MFCD00044503
SMILES	CC(C)C1=CC=C(C)C(N)=C1
IUPAC Name	2-methyl-5-(propan-2-yl)aniline
InChI Key	YKWALWNGEXPARQ-UHFFFAOYSA-N
Molecular Formula	C10H15N

173

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(1R,2S)-(-)-2,N-Epoxy-10,2-camphorsultam, 96%

CAS: 104372-31-8 Molecular Formula: C10H15NO3S Molecular Weight (g/mol): 229.294 MDL Number: MFCD00075428 InChI Key: GBBJBUGPGFNISJ-HPFPYREMSA-N Synonym: 1r---10-camphorsulfonyl oxaziridine,--2s,8ar-camphorylsulfonyl oxaziridine PubChem CID: 98044902 SMILES: CC1(C2CCC13CS(=O)(=O)N4C3(C2)O4)C

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Specifications

PubChem CID	98044902
CAS	104372-31-8
Molecular Weight (g/mol)	229.294
MDL Number	MFCD00075428
SMILES	CC1(C2CCC13CS(=O)(=O)N4C3(C2)O4)C
Synonym	1r---10-camphorsulfonyl oxaziridine,--2s,8ar-camphorylsulfonyl oxaziridine
InChI Key	GBBJBUGPGFNISJ-HPFPYREMSA-N
Molecular Formula	C10H15NO3S

174

Mecamylamine hydrochloride

CAS: 826-39-1 Molecular Formula: C11H22ClN Molecular Weight (g/mol): 203.754 MDL Number: MFCD00151462 InChI Key: PKVZBNCYEICAQP-CIISUUNXSA-N Synonym: mecamylamine hcl,2-methylamino isocamphane hydrochloride,n,2,3,3-tetramethylbicyclo 2.2.1 heptan-2-amine hydrochloride,a: 600/1 223m072 melphalan hydrochloride 3223-07-2,1s,4r-n,2,3,3-tetramethylbicyclo 2.2.1 heptan-2-amine hydrochloride,mecamylamine hydrochloride, united states pharmacopeia usp reference standard PubChem CID: 25162921 IUPAC Name: (1R,4S)-N,2,2,3-tetramethylbicyclo[2.2.1]heptan-3-amine;hydrochloride SMILES: CC1(C2CCC(C2)C1(C)NC)C.Cl

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Specifications

PubChem CID	25162921
CAS	826-39-1
Molecular Weight (g/mol)	203.754
MDL Number	MFCD00151462
SMILES	CC1(C2CCC(C2)C1(C)NC)C.Cl
Synonym	mecamylamine hcl,2-methylamino isocamphane hydrochloride,n,2,3,3-tetramethylbicyclo 2.2.1 heptan-2-amine hydrochloride,a: 600/1 223m072 melphalan hydrochloride 3223-07-2,1s,4r-n,2,3,3-tetramethylbicyclo 2.2.1 heptan-2-amine hydrochloride,mecamylamine hydrochloride, united states pharmacopeia usp reference standard
IUPAC Name	(1R,4S)-N,2,2,3-tetramethylbicyclo[2.2.1]heptan-3-amine;hydrochloride
InChI Key	PKVZBNCYEICAQP-CIISUUNXSA-N
Molecular Formula	C11H22ClN

175

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D(+)-Fenchone, 97%

CAS: 4695-62-9 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00070689 InChI Key: LHXDLQBQYFFVNW-XCBNKYQSSA-N Synonym: +-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one PubChem CID: 1201521 ChEBI: CHEBI:165 IUPAC Name: (1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

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Specifications

PubChem CID	1201521
CAS	4695-62-9
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:165
MDL Number	MFCD00070689
SMILES	CC1(C2CCC(C2)(C1=O)C)C
Synonym	+-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one
IUPAC Name	(1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	LHXDLQBQYFFVNW-XCBNKYQSSA-N
Molecular Formula	C₁₀H₁₆O

176

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Bis(pentamethylcyclopentadienyl)hafnium(IV) dichloride, 98+%

CAS: 85959-83-7 Molecular Formula: C20H30Cl2Hf Molecular Weight (g/mol): 519.85 MDL Number: MFCD00058887 InChI Key: YPRLSLCBPOTFGE-UHFFFAOYSA-L Synonym: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride,hafnium,dichlorobis 1,2,3,4,5-h-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl PubChem CID: 21908586 IUPAC Name: hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride SMILES: CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Cl-].[Cl-].[Hf+4]

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Specifications

PubChem CID	21908586
CAS	85959-83-7
Molecular Weight (g/mol)	519.85
MDL Number	MFCD00058887
SMILES	CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Cl-].[Cl-].[Hf+4]
Synonym	1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride,hafnium,dichlorobis 1,2,3,4,5-h-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl
IUPAC Name	hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
InChI Key	YPRLSLCBPOTFGE-UHFFFAOYSA-L
Molecular Formula	C20H30Cl2Hf

177

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(+/-)-Citronellal, 96%

CAS: 106-23-0 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00038090 InChI Key: NEHNMFOYXAPHSD-SNVBAGLBSA-N Synonym: citronellal,rhodinal,3,7-dimethyl-6-octenal,2,3-dihydrocitral,6-octenal, 3,7-dimethyl,citronellel,citronella,3,7-dimethyl-6-octen-1-al,beta-citronellal,d-rhodinal PubChem CID: 7794 ChEBI: CHEBI:47856 SMILES: C[C@H](CCC=C(C)C)CC=O

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Specifications

PubChem CID	7794
CAS	106-23-0
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:47856
MDL Number	MFCD00038090
SMILES	C[C@H](CCC=C(C)C)CC=O
Synonym	citronellal,rhodinal,3,7-dimethyl-6-octenal,2,3-dihydrocitral,6-octenal, 3,7-dimethyl,citronellel,citronella,3,7-dimethyl-6-octen-1-al,beta-citronellal,d-rhodinal
InChI Key	NEHNMFOYXAPHSD-SNVBAGLBSA-N
Molecular Formula	C10H18O

178

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(-)-Fenchone, 98+%

CAS: 7787-20-4 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00151104 InChI Key: LHXDLQBQYFFVNW-GMSGAONNSA-N Synonym: l-fenchone,1r-fenchone,1r,4r-2,2,4-trimethylbicyclo 2.2.1 heptan-3-one,2r,5r-2,6,6-trimethyl-2,5-methanocyclohexane-1-one PubChem CID: 3034206 IUPAC Name: (1R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

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Specifications

PubChem CID	3034206
CAS	7787-20-4
Molecular Weight (g/mol)	152.237
MDL Number	MFCD00151104
SMILES	CC1(C2CCC(C2)(C1=O)C)C
Synonym	l-fenchone,1r-fenchone,1r,4r-2,2,4-trimethylbicyclo 2.2.1 heptan-3-one,2r,5r-2,6,6-trimethyl-2,5-methanocyclohexane-1-one
IUPAC Name	(1R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	LHXDLQBQYFFVNW-GMSGAONNSA-N
Molecular Formula	C10H16O

179

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(S)-cis-Verbenol, 97%, sum of isomers

CAS: 18881-04-4 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00065444 InChI Key: WONIGEXYPVIKFS-YIZRAAEISA-N Synonym: s-cis-verbenol,verbenol, s-cis,unii-xr9t57f48t,cis-verbenol,bicyclo 3.1.1 hept-3-en-2-ol, 4,6,6-trimethyl-, 1s,2s,5s,1s-cis-verbenol,ccris 5289,?-cis-verbenol PubChem CID: 87839 IUPAC Name: (1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol SMILES: CC1=CC(C2CC1C2(C)C)O

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Specifications

PubChem CID	87839
CAS	18881-04-4
Molecular Weight (g/mol)	152.24
MDL Number	MFCD00065444
SMILES	CC1=CC(C2CC1C2(C)C)O
Synonym	s-cis-verbenol,verbenol, s-cis,unii-xr9t57f48t,cis-verbenol,bicyclo 3.1.1 hept-3-en-2-ol, 4,6,6-trimethyl-, 1s,2s,5s,1s-cis-verbenol,ccris 5289,?-cis-verbenol
IUPAC Name	(1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
InChI Key	WONIGEXYPVIKFS-YIZRAAEISA-N
Molecular Formula	C₁₀H₁₆O

180

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(1S,2S,3R,5S)-2,3-Pinanediol, 99%

CAS: 18680-27-8 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00077851 InChI Key: MOILFCKRQFQVFS-OORONAJNSA-N Synonym: 1s,2s,3r,5s-+-2,3-pinanediol,1s,2s,3r,5s-2,6,6-trimethylbicyclo 3.1.1 heptane-2,3-diol,1s,2s,3r,5s-+-pinanediol,+-pinanediol,pinanediol, +,unii-y6zcv4avra,+-2-hydroxyisopinocampheol,y6zcv4avra,1s,2s,3r,5s-2,3-pinanediol,bicyclo 3.1.1 heptane-2,3-diol, 2,6,6-trimethyl-, 1s,2s,3r,5s PubChem CID: 10219606 IUPAC Name: (1S,3R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol SMILES: CC1(C2CC1C(C(C2)O)(C)O)C

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Specifications

PubChem CID	10219606
CAS	18680-27-8
Molecular Weight (g/mol)	170.252
MDL Number	MFCD00077851
SMILES	CC1(C2CC1C(C(C2)O)(C)O)C
Synonym	1s,2s,3r,5s-+-2,3-pinanediol,1s,2s,3r,5s-2,6,6-trimethylbicyclo 3.1.1 heptane-2,3-diol,1s,2s,3r,5s-+-pinanediol,+-pinanediol,pinanediol, +,unii-y6zcv4avra,+-2-hydroxyisopinocampheol,y6zcv4avra,1s,2s,3r,5s-2,3-pinanediol,bicyclo 3.1.1 heptane-2,3-diol, 2,6,6-trimethyl-, 1s,2s,3r,5s
IUPAC Name	(1S,3R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol
InChI Key	MOILFCKRQFQVFS-OORONAJNSA-N
Molecular Formula	C10H18O2

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