Prenol lipids
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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
| 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 |
4-Isopropylbenzonitrile, 95%, Thermo Scientific™
CAS: 13816-33-6 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.205 MDL Number: MFCD00052966 InChI Key: YFDJCWXBKWRDPW-UHFFFAOYSA-N Synonym: 4-isopropylbenzonitrile,cuminyl nitrile,p-cyanocumene,benzonitrile, 4-1-methylethyl,cuminonitrile,cuminic nitrile,p-isopropylbenzonitrile,benzonitrile, p-isopropyl,4-1-methylethyl benzonitrile,4-propan-2-yl benzonitrile PubChem CID: 26289 IUPAC Name: 4-propan-2-ylbenzonitrile SMILES: CC(C)C1=CC=C(C=C1)C#N
| PubChem CID | 26289 |
|---|---|
| CAS | 13816-33-6 |
| Molecular Weight (g/mol) | 145.205 |
| MDL Number | MFCD00052966 |
| SMILES | CC(C)C1=CC=C(C=C1)C#N |
| Synonym | 4-isopropylbenzonitrile,cuminyl nitrile,p-cyanocumene,benzonitrile, 4-1-methylethyl,cuminonitrile,cuminic nitrile,p-isopropylbenzonitrile,benzonitrile, p-isopropyl,4-1-methylethyl benzonitrile,4-propan-2-yl benzonitrile |
| IUPAC Name | 4-propan-2-ylbenzonitrile |
| InChI Key | YFDJCWXBKWRDPW-UHFFFAOYSA-N |
| Molecular Formula | C10H11N |
(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
| 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 |
Isophytol, 95%
CAS: 505-32-8 Molecular Formula: C20H40O Molecular Weight (g/mol): 296.539 MDL Number: MFCD00048380 InChI Key: KEVYVLWNCKMXJX-UHFFFAOYSA-N Synonym: isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 PubChem CID: 10453 IUPAC Name: 3,7,11,15-tetramethylhexadec-1-en-3-ol SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
| PubChem CID | 10453 |
|---|---|
| CAS | 505-32-8 |
| Molecular Weight (g/mol) | 296.539 |
| MDL Number | MFCD00048380 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O |
| Synonym | isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 |
| IUPAC Name | 3,7,11,15-tetramethylhexadec-1-en-3-ol |
| InChI Key | KEVYVLWNCKMXJX-UHFFFAOYSA-N |
| Molecular Formula | C20H40O |
Menthofuran, 95%
CAS: 494-90-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00041851 InChI Key: YGWKXXYGDYYFJU-UHFFFAOYSA-N Synonym: menthofuran,menthofurane,3,9-epoxy-p-mentha-3,8-diene,benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl,p-mentha-3,8-diene, 3,9-epoxy,4,5,6,7-tetrahydro-3,6-dimethylbenzofuran,fema no. 3235,4,5,6,7-tetrahydro-3,6-dimethylcoumarone,r-menthofuran,3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan PubChem CID: 329983 ChEBI: CHEBI:50542 IUPAC Name: 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran SMILES: CC1CCC2=C(C1)OC=C2C
| PubChem CID | 329983 |
|---|---|
| CAS | 494-90-6 |
| Molecular Weight (g/mol) | 150.221 |
| ChEBI | CHEBI:50542 |
| MDL Number | MFCD00041851 |
| SMILES | CC1CCC2=C(C1)OC=C2C |
| Synonym | menthofuran,menthofurane,3,9-epoxy-p-mentha-3,8-diene,benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl,p-mentha-3,8-diene, 3,9-epoxy,4,5,6,7-tetrahydro-3,6-dimethylbenzofuran,fema no. 3235,4,5,6,7-tetrahydro-3,6-dimethylcoumarone,r-menthofuran,3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan |
| IUPAC Name | 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran |
| InChI Key | YGWKXXYGDYYFJU-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
Geranyl bromide, 96%
CAS: 6138-90-5 Molecular Formula: C10H17Br Molecular Weight (g/mol): 217.15 MDL Number: MFCD00000243 InChI Key: JSCUZAYKVZXKQE-JXMROGBWSA-N Synonym: geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide PubChem CID: 5365867 IUPAC Name: (2E)-1-bromo-3,7-dimethylocta-2,6-diene SMILES: CC(=CCCC(=CCBr)C)C
| PubChem CID | 5365867 |
|---|---|
| CAS | 6138-90-5 |
| Molecular Weight (g/mol) | 217.15 |
| MDL Number | MFCD00000243 |
| SMILES | CC(=CCCC(=CCBr)C)C |
| Synonym | geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide |
| IUPAC Name | (2E)-1-bromo-3,7-dimethylocta-2,6-diene |
| InChI Key | JSCUZAYKVZXKQE-JXMROGBWSA-N |
| Molecular Formula | C10H17Br |
Oleanolic Acid, 98.4% (HPLC), MP Biomedicals
CAS: 508-02-1 Molecular Formula: C30H48O3 Molecular Weight (g/mol): 456.711 InChI Key: MIJYXULNPSFWEK-GTOFXWBISA-N Synonym: oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid PubChem CID: 10494 ChEBI: CHEBI:37659 IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
| PubChem CID | 10494 |
|---|---|
| CAS | 508-02-1 |
| Molecular Weight (g/mol) | 456.711 |
| ChEBI | CHEBI:37659 |
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
| Synonym | oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| InChI Key | MIJYXULNPSFWEK-GTOFXWBISA-N |
| Molecular Formula | C30H48O3 |
Betulin, 95.2%, MP Biomedicals™
CAS: 473-98-3 Molecular Formula: C30H50O2 Molecular Weight (g/mol): 442.728 InChI Key: FVWJYYTZTCVBKE-ROUWMTJPSA-N Synonym: betulin,betulinol,betuline,trochol,betulol,lup-20 29-ene-3b,28-diol,lup-20 29-ene-3beta,28-diol,unii-6w70hn7x7o,lup-20 30-ene-3beta,28-diol,lup-20 29-ene-3,28-diol, 3beta PubChem CID: 72326 ChEBI: CHEBI:3086 IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
| PubChem CID | 72326 |
|---|---|
| CAS | 473-98-3 |
| Molecular Weight (g/mol) | 442.728 |
| ChEBI | CHEBI:3086 |
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| Synonym | betulin,betulinol,betuline,trochol,betulol,lup-20 29-ene-3b,28-diol,lup-20 29-ene-3beta,28-diol,unii-6w70hn7x7o,lup-20 30-ene-3beta,28-diol,lup-20 29-ene-3,28-diol, 3beta |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| InChI Key | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| Molecular Formula | C30H50O2 |
4-Isopropylphenylacetic acid, 98+%
CAS: 4476-28-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00041035 InChI Key: RERBQXVRXYCGLT-UHFFFAOYSA-N Synonym: 4-isopropylphenylacetic acid,2-4-isopropylphenyl acetic acid,4-isopropylphenyl acetic acid,benzeneacetic acid, 4-1-methylethyl,2-4-propan-2-yl phenyl acetic acid,p-isopropyl phenyl acetic acid,4-isopropyl-phenyl-acetic acid,4-propan-2-yl phenyl acetic acid,2-4-methylethyl phenyl acetic acid,4-isopropylphenylaceticacid PubChem CID: 78230 IUPAC Name: 2-(4-propan-2-ylphenyl)acetic acid SMILES: CC(C)C1=CC=C(C=C1)CC(=O)O
| PubChem CID | 78230 |
|---|---|
| CAS | 4476-28-2 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00041035 |
| SMILES | CC(C)C1=CC=C(C=C1)CC(=O)O |
| Synonym | 4-isopropylphenylacetic acid,2-4-isopropylphenyl acetic acid,4-isopropylphenyl acetic acid,benzeneacetic acid, 4-1-methylethyl,2-4-propan-2-yl phenyl acetic acid,p-isopropyl phenyl acetic acid,4-isopropyl-phenyl-acetic acid,4-propan-2-yl phenyl acetic acid,2-4-methylethyl phenyl acetic acid,4-isopropylphenylaceticacid |
| IUPAC Name | 2-(4-propan-2-ylphenyl)acetic acid |
| InChI Key | RERBQXVRXYCGLT-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Squalane, NF, 97-102%, Spectrum™ Chemical
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CAS: 111-01-3 Molecular Formula: C30H62 Molecular Weight (g/mol): 422.83 InChI Key: PRAKJMSDJKAYCZ-UHFFFAOYNA-N IUPAC Name: 2,6,10,15,19,23-hexamethyltetracosane SMILES: CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
| CAS | 111-01-3 |
|---|---|
| Molecular Weight (g/mol) | 422.83 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C |
| IUPAC Name | 2,6,10,15,19,23-hexamethyltetracosane |
| InChI Key | PRAKJMSDJKAYCZ-UHFFFAOYNA-N |
| Molecular Formula | C30H62 |
Oleanolic acid, 97%
CAS: 508-02-1 Molecular Formula: C30H48O3 Molecular Weight (g/mol): 456.7 InChI Key: MIJYXULNPSFWEK-GTOFXWBISA-N Synonym: oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid PubChem CID: 10494 ChEBI: CHEBI:37659 IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
| PubChem CID | 10494 |
|---|---|
| CAS | 508-02-1 |
| Molecular Weight (g/mol) | 456.7 |
| ChEBI | CHEBI:37659 |
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
| Synonym | oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| InChI Key | MIJYXULNPSFWEK-GTOFXWBISA-N |
| Molecular Formula | C30H48O3 |
DL-Menthol, Crystal, FCC, Spectrum™ Chemical
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CAS: 89-78-1 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 InChI Key: NOOLISFMXDJSKH-KXUCPTDWSA-N IUPAC Name: (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
| CAS | 89-78-1 |
|---|---|
| Molecular Weight (g/mol) | 156.27 |
| SMILES | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O |
| IUPAC Name | (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol |
| InChI Key | NOOLISFMXDJSKH-KXUCPTDWSA-N |
| Molecular Formula | C10H20O |
(-)-Limonene, 96%
CAS: 5989-54-8 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001558 InChI Key: XMGQYMWWDOXHJM-SNVBAGLBSA-N Synonym: --limonene,l-limonene,s---limonene,s-limonene,--4s-limonene,--s-limonene,s-p-mentha-1,8-diene,unii-47maj1y2ne,4s-limonene,p-mentha-1,8-diene, s-- PubChem CID: 439250 ChEBI: CHEBI:15383 IUPAC Name: (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene SMILES: CC1=CCC(CC1)C(=C)C
| PubChem CID | 439250 |
|---|---|
| CAS | 5989-54-8 |
| Molecular Weight (g/mol) | 136.24 |
| ChEBI | CHEBI:15383 |
| MDL Number | MFCD00001558 |
| SMILES | CC1=CCC(CC1)C(=C)C |
| Synonym | --limonene,l-limonene,s---limonene,s-limonene,--4s-limonene,--s-limonene,s-p-mentha-1,8-diene,unii-47maj1y2ne,4s-limonene,p-mentha-1,8-diene, s-- |
| IUPAC Name | (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| InChI Key | XMGQYMWWDOXHJM-SNVBAGLBSA-N |
| Molecular Formula | C10H16 |
Flunixin Meglumine, USP, 98-102%, Spectrum™ Chemical
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CAS: 42461-84-7 Molecular Formula: C21H28F3N3O7 Molecular Weight (g/mol): 491.46 InChI Key: MGCCHNLNRBULBU-WZTVWXICSA-N IUPAC Name: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; 2-{[2-methyl-3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC1=C(NC2=NC=CC=C2C(O)=O)C=CC=C1C(F)(F)F
| CAS | 42461-84-7 |
|---|---|
| Molecular Weight (g/mol) | 491.46 |
| SMILES | CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC1=C(NC2=NC=CC=C2C(O)=O)C=CC=C1C(F)(F)F |
| IUPAC Name | (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; 2-{[2-methyl-3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid |
| InChI Key | MGCCHNLNRBULBU-WZTVWXICSA-N |
| Molecular Formula | C21H28F3N3O7 |
cis-4-Isopropylcyclohexanecarboxylic acid, 97%
CAS: 7084-93-7 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD04004145,MFCD01734696,MFCD19706019 InChI Key: YRQKWRUZZCBSIG-UHFFFAOYSA-N Synonym: trans-4-isopropylcyclohexanecarboxylic acid,trans-4-isopropylcyclohexane carboxylic acid,4-isopropylcyclohexanecarboxylic acid,hexahydrocumic acid,isopropyl-cyclohexanecarboxylic acid,cis-4-isopropylcyclohexanecarboxylic acid,p-isopropylhexahydrobenzoic acid,cyclohexanecarboxylic acid, 4-1-methylethyl,cyclohexanecarboxylic acid, 4-isopropyl,cyclohexanecarboxylic acid, 4-1-methylethyl-, trans PubChem CID: 81526 IUPAC Name: 4-propan-2-ylcyclohexane-1-carboxylic acid SMILES: CC(C)C1CCC(CC1)C(O)=O
| PubChem CID | 81526 |
|---|---|
| CAS | 7084-93-7 |
| Molecular Weight (g/mol) | 170.25 |
| MDL Number | MFCD04004145,MFCD01734696,MFCD19706019 |
| SMILES | CC(C)C1CCC(CC1)C(O)=O |
| Synonym | trans-4-isopropylcyclohexanecarboxylic acid,trans-4-isopropylcyclohexane carboxylic acid,4-isopropylcyclohexanecarboxylic acid,hexahydrocumic acid,isopropyl-cyclohexanecarboxylic acid,cis-4-isopropylcyclohexanecarboxylic acid,p-isopropylhexahydrobenzoic acid,cyclohexanecarboxylic acid, 4-1-methylethyl,cyclohexanecarboxylic acid, 4-isopropyl,cyclohexanecarboxylic acid, 4-1-methylethyl-, trans |
| IUPAC Name | 4-propan-2-ylcyclohexane-1-carboxylic acid |
| InChI Key | YRQKWRUZZCBSIG-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |