Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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3,151 – 3,165 of 202,906 results

3,151

3,3-Dimethylheptane 98.0+%, TCI America™

CAS: 4032-86-4 Molecular Formula: C9H20 Molecular Weight (g/mol): 128.259 MDL Number: MFCD00048811 InChI Key: BVAKDOXCVSMKHE-UHFFFAOYSA-N Synonym: heptane, 3,3-dimethyl,3,3-dimethylheptane,acmc-1aeuh,3,3-dimethyl heptane PubChem CID: 520991 IUPAC Name: 3,3-dimethylheptane SMILES: CCCCC(C)(C)CC

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PubChem CID	520991
CAS	4032-86-4
Molecular Weight (g/mol)	128.259
MDL Number	MFCD00048811
SMILES	CCCCC(C)(C)CC
Synonym	heptane, 3,3-dimethyl,3,3-dimethylheptane,acmc-1aeuh,3,3-dimethyl heptane
IUPAC Name	3,3-dimethylheptane
InChI Key	BVAKDOXCVSMKHE-UHFFFAOYSA-N
Molecular Formula	C9H20

3,152

4-(Hydroxymethyl)cyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™

CAS: 33893-85-5 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 InChI Key: VGRZISGVNOKTQU-UHFFFAOYSA-N PubChem CID: 12892866 IUPAC Name: 4-(hydroxymethyl)cyclohexan-1-ol SMILES: C1CC(CCC1CO)O

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Specifications

PubChem CID	12892866
CAS	33893-85-5
Molecular Weight (g/mol)	130.187
SMILES	C1CC(CCC1CO)O
IUPAC Name	4-(hydroxymethyl)cyclohexan-1-ol
InChI Key	VGRZISGVNOKTQU-UHFFFAOYSA-N
Molecular Formula	C7H14O2

3,153

Polyethylene Glycol Mono-4-nonylphenyl Ether (n=approx. 15), TCI America™

CAS: 26027-38-3 MDL Number: MFCD00148006

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Specifications

CAS	26027-38-3
MDL Number	MFCD00148006

3,154

Diethyl Phthalimidomalonate 96.0+%, TCI America™

CAS: 5680-61-5 Molecular Formula: C15H15NO6 Molecular Weight (g/mol): 305.286 MDL Number: MFCD00065025 InChI Key: SZNGBHWKVWEBKW-UHFFFAOYSA-N Synonym: Phthalimidomalonic Acid Diethyl Ester PubChem CID: 79760 IUPAC Name: diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate SMILES: CCOC(=O)C(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O

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Specifications

PubChem CID	79760
CAS	5680-61-5
Molecular Weight (g/mol)	305.286
MDL Number	MFCD00065025
SMILES	CCOC(=O)C(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O
Synonym	Phthalimidomalonic Acid Diethyl Ester
IUPAC Name	diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate
InChI Key	SZNGBHWKVWEBKW-UHFFFAOYSA-N
Molecular Formula	C15H15NO6

3,155

Picrotoxin (Picrotoxinin + Picrotin) 94.0+%, TCI America™

CAS: 124-87-8 Molecular Formula: C30H34O13 Molecular Weight (g/mol): 602.589 MDL Number: MFCD00074824 InChI Key: VJKUPQSHOVKBCO-DMRKGALJSA-N Synonym: picrotoxin PubChem CID: 131846146 SMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O

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Specifications

PubChem CID	131846146
CAS	124-87-8
Molecular Weight (g/mol)	602.589
MDL Number	MFCD00074824
SMILES	CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
Synonym	picrotoxin
InChI Key	VJKUPQSHOVKBCO-DMRKGALJSA-N
Molecular Formula	C30H34O13

3,156

N-Carbobenzoxy-L-glutamic Acid 98.0+%, TCI America™

CAS: 1155-62-0 Molecular Formula: C13H15NO6 Molecular Weight (g/mol): 281.264 MDL Number: MFCD00002801 InChI Key: PVFCXMDXBIEMQG-JTQLQIEISA-N Synonym: n-cbz-l-glutamic acid,z-glu-oh,n-benzyloxycarbonyl-l-glutamic acid,carbobenzoxy-l-glutamic acid,n-carbobenzoxy-l-glutamic acid,s-2-benzyloxy carbonyl amino pentanedioic acid,n-benzyloxycarbonylglutamic acid,n-carbobenzyloxy-l-glutamic acid,z-l-glu-oh PubChem CID: 70866 IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)pentanedioic acid SMILES: C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)O

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Specifications

PubChem CID	70866
CAS	1155-62-0
Molecular Weight (g/mol)	281.264
MDL Number	MFCD00002801
SMILES	C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)O
Synonym	n-cbz-l-glutamic acid,z-glu-oh,n-benzyloxycarbonyl-l-glutamic acid,carbobenzoxy-l-glutamic acid,n-carbobenzoxy-l-glutamic acid,s-2-benzyloxy carbonyl amino pentanedioic acid,n-benzyloxycarbonylglutamic acid,n-carbobenzyloxy-l-glutamic acid,z-l-glu-oh
IUPAC Name	(2S)-2-(phenylmethoxycarbonylamino)pentanedioic acid
InChI Key	PVFCXMDXBIEMQG-JTQLQIEISA-N
Molecular Formula	C13H15NO6

3,157

cis-1,3-Dimethylcyclohexane 99.0+%, TCI America™

CAS: 638-04-0 Molecular Formula: C8H16 Molecular Weight (g/mol): 112.22 MDL Number: MFCD00001507 InChI Key: SGVUHPSBDNVHKL-OCAPTIKFSA-N Synonym: cis-1,3-dimethylcyclohexane,1r,3s-1,3-dimethylcyclohexane,cyclohexane, 1,3-dimethyl-, cis,1,cis-3-dimethylcyclohexane,1r,3s-1,3-dimethylcyclohexan,unii-9sgo12qv70,1,3-dimethylcyclohexane, cis,cis-hexahydro-m-xylene,c-1,3-dimethylcyclohexane,1,3-dimethyl cis-cyclohexane PubChem CID: 252361 IUPAC Name: (1R,3S)-1,3-dimethylcyclohexane SMILES: C[C@H]1CCC[C@@H](C)C1

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Specifications

PubChem CID	252361
CAS	638-04-0
Molecular Weight (g/mol)	112.22
MDL Number	MFCD00001507
SMILES	C[C@H]1CCC[C@@H](C)C1
Synonym	cis-1,3-dimethylcyclohexane,1r,3s-1,3-dimethylcyclohexane,cyclohexane, 1,3-dimethyl-, cis,1,cis-3-dimethylcyclohexane,1r,3s-1,3-dimethylcyclohexan,unii-9sgo12qv70,1,3-dimethylcyclohexane, cis,cis-hexahydro-m-xylene,c-1,3-dimethylcyclohexane,1,3-dimethyl cis-cyclohexane
IUPAC Name	(1R,3S)-1,3-dimethylcyclohexane
InChI Key	SGVUHPSBDNVHKL-OCAPTIKFSA-N
Molecular Formula	C8H16

3,158

3,5-Diiodo-L-tyrosine Dihydrate 98.0+%, TCI America™

CAS: 18835-59-1 Molecular Formula: C9H13I2NO5 Molecular Weight (g/mol): 469.01 MDL Number: MFCD00150275 InChI Key: YWAGQOOMOOUEGY-QVGJJETENA-N Synonym: 3,5-diiodo-l-tyrosine dihydrate,s-2-amino-3-4-hydroxy-3,5-diiodophenyl propanoic acid dihydrate,3,5-diiodotyrosine dihydrate,3,5-dijodtyrosindihydrat,c9h9i2no3.2h2o,3,5-diiodo-l-tyrosine hydrate,l-tyrosine,3,5-diiodo-, hydrate 1:2,s-2-amino-3-4-hydroxy-3,5-diiodophenyl propanoicaciddihydrate,2s-2-amino-3-4-hydroxy-3,5-diiodophenyl propanoic acid dihydrate,s-2-amino-3-4-hydroxy-3,5-diiodophenyl-propanoic acid dihydrate PubChem CID: 2724330 IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate SMILES: O.O.N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(O)=O

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Specifications

PubChem CID	2724330
CAS	18835-59-1
Molecular Weight (g/mol)	469.01
MDL Number	MFCD00150275
SMILES	O.O.N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(O)=O
Synonym	3,5-diiodo-l-tyrosine dihydrate,s-2-amino-3-4-hydroxy-3,5-diiodophenyl propanoic acid dihydrate,3,5-diiodotyrosine dihydrate,3,5-dijodtyrosindihydrat,c9h9i2no3.2h2o,3,5-diiodo-l-tyrosine hydrate,l-tyrosine,3,5-diiodo-, hydrate 1:2,s-2-amino-3-4-hydroxy-3,5-diiodophenyl propanoicaciddihydrate,2s-2-amino-3-4-hydroxy-3,5-diiodophenyl propanoic acid dihydrate,s-2-amino-3-4-hydroxy-3,5-diiodophenyl-propanoic acid dihydrate
IUPAC Name	(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate
InChI Key	YWAGQOOMOOUEGY-QVGJJETENA-N
Molecular Formula	C9H13I2NO5

3,159

4-Bromo-2-(1H-pyrazol-3-yl)phenol 98.0+%, TCI America™

CAS: 99067-15-9 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.072 MDL Number: MFCD03094026 InChI Key: WAHULEHSSFNFQX-UHFFFAOYSA-N Synonym: 4-bromo-2-1h-pyrazol-3-yl phenol,4-bromo-6-1,2-dihydropyrazol-3-ylidene cyclohexa-2,4-dien-1-one,2-1h-pyrazole-3-yl-4-bromophenol,4-bromo-2-2h-pyrazol-3-yl phenol PubChem CID: 6744501 IUPAC Name: 4-bromo-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one SMILES: C1=CC(=O)C(=C2C=CNN2)C=C1Br

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Specifications

PubChem CID	6744501
CAS	99067-15-9
Molecular Weight (g/mol)	239.072
MDL Number	MFCD03094026
SMILES	C1=CC(=O)C(=C2C=CNN2)C=C1Br
Synonym	4-bromo-2-1h-pyrazol-3-yl phenol,4-bromo-6-1,2-dihydropyrazol-3-ylidene cyclohexa-2,4-dien-1-one,2-1h-pyrazole-3-yl-4-bromophenol,4-bromo-2-2h-pyrazol-3-yl phenol
IUPAC Name	4-bromo-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
InChI Key	WAHULEHSSFNFQX-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2O

3,160

N-(tert-Butoxycarbonyl)-trans-4-(p-toluenesulfonyloxy)-L-proline Methyl Ester 98.0+%, TCI America™

CAS: 88043-21-4 Molecular Formula: C18H25NO7S Molecular Weight (g/mol): 399.458 MDL Number: MFCD02179383 InChI Key: UKVKNGDXVREPDE-HIFRSBDPSA-N Synonym: boc-trans-4-tosyloxy-l-proline methyl ester,n-boc-trans-4-tosyloxy-l-proline methyl ester,4r-4-tso-n-boc-pro-ome,n-boc-trans-4-p-tosyloxy-l-proline methyl ester,2s,4r-1-tert-butyl 2-methyl 4-tosyloxy pyrrolidine-1,2-dicarboxylate,2s,4r-4-4-methylphenyl sulfonyl oxy-1,2-pyrrolidinedicarboxylic acid 1-1,1-dimethylethyl 2-methyl ester,1-tert-butyl 2-methyl 2s,4r-4-4-methylbenzenesulfonyl oxy pyrrolidine-1,2-dicarboxylate,ksc659e9j,boc-trans-4-tosyloxy-l-prolinemethylester PubChem CID: 13425772 IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)OC

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Specifications

PubChem CID	13425772
CAS	88043-21-4
Molecular Weight (g/mol)	399.458
MDL Number	MFCD02179383
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)OC
Synonym	boc-trans-4-tosyloxy-l-proline methyl ester,n-boc-trans-4-tosyloxy-l-proline methyl ester,4r-4-tso-n-boc-pro-ome,n-boc-trans-4-p-tosyloxy-l-proline methyl ester,2s,4r-1-tert-butyl 2-methyl 4-tosyloxy pyrrolidine-1,2-dicarboxylate,2s,4r-4-4-methylphenyl sulfonyl oxy-1,2-pyrrolidinedicarboxylic acid 1-1,1-dimethylethyl 2-methyl ester,1-tert-butyl 2-methyl 2s,4r-4-4-methylbenzenesulfonyl oxy pyrrolidine-1,2-dicarboxylate,ksc659e9j,boc-trans-4-tosyloxy-l-prolinemethylester
IUPAC Name	1-O-tert-butyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate
InChI Key	UKVKNGDXVREPDE-HIFRSBDPSA-N
Molecular Formula	C18H25NO7S

3,161

5,15-Diphenylporphyrin 90.0+%, TCI America™

CAS: 22112-89-6 Molecular Formula: C32H22N4 Molecular Weight (g/mol): 462.556 InChI Key: QIBKIAFNCVIIMG-UHFFFAOYSA-N Synonym: 5,15-Diphenyl-21H,23H-porphine PubChem CID: 10895852 IUPAC Name: 10,20-diphenyl-21,22-dihydroporphyrin SMILES: C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)N3

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Specifications

PubChem CID	10895852
CAS	22112-89-6
Molecular Weight (g/mol)	462.556
SMILES	C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)N3
Synonym	5,15-Diphenyl-21H,23H-porphine
IUPAC Name	10,20-diphenyl-21,22-dihydroporphyrin
InChI Key	QIBKIAFNCVIIMG-UHFFFAOYSA-N
Molecular Formula	C32H22N4

3,162

Di-n-octyl Sebacate 95.0+%, TCI America™

CAS: 14491-66-8 Molecular Formula: C26H50O4 Synonym: Decanedioic Acid Di-n-octyl Ester, Sebacic Acid Di-n-octyl Ester, Di-n-octyl Decanedioate

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CAS	14491-66-8
Synonym	Decanedioic Acid Di-n-octyl Ester, Sebacic Acid Di-n-octyl Ester, Di-n-octyl Decanedioate
Molecular Formula	C26H50O4

3,163

2-sec-Butylcyclohexanone (mixture of isomers) 98.0+%, TCI America™

CAS: 14765-30-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00051454 InChI Key: RQXTZKGDMNIWJF-UHFFFAOYSA-N Synonym: 2-sec-butylcyclohexanone,2-sec-butyl cyclohexanone,cyclohexanone, 2-1-methylpropyl,2-1-methylpropyl cyclohexanone,2-sec-butylcyclohexan-1-one,cyclohexanone, 2-sec-butyl,butylcyclohexanone, o-sec,fema no. 3261,cyclohexanone, 2-sec-butyl-7ci,8ci,cyclohexanone,2-1-methylpropyl PubChem CID: 61771 IUPAC Name: 2-butan-2-ylcyclohexan-1-one SMILES: CCC(C)C1CCCCC1=O

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Specifications

PubChem CID	61771
CAS	14765-30-1
Molecular Weight (g/mol)	154.253
MDL Number	MFCD00051454
SMILES	CCC(C)C1CCCCC1=O
Synonym	2-sec-butylcyclohexanone,2-sec-butyl cyclohexanone,cyclohexanone, 2-1-methylpropyl,2-1-methylpropyl cyclohexanone,2-sec-butylcyclohexan-1-one,cyclohexanone, 2-sec-butyl,butylcyclohexanone, o-sec,fema no. 3261,cyclohexanone, 2-sec-butyl-7ci,8ci,cyclohexanone,2-1-methylpropyl
IUPAC Name	2-butan-2-ylcyclohexan-1-one
InChI Key	RQXTZKGDMNIWJF-UHFFFAOYSA-N
Molecular Formula	C10H18O

3,164

5-Methyl L-Glutamate 98.0+%, TCI America™

CAS: 1499-55-4 Molecular Formula: C6H11NO4 Molecular Weight (g/mol): 161.157 InChI Key: ZGEYCCHDTIDZAE-BYPYZUCNSA-N Synonym: l-glutamic acid 5-methyl ester,h-glu ome-oh,polymethylglutamate,2s-2-amino-5-methoxy-5-oxopentanoic acid,l-glutamic acid gamma-methyl ester,5-methyl l-glutamate,l-glutamic acid, 5-methyl ester,2s-2-amino-5-methoxy-5-oxo-pentanoic acid,2s-2-amino-4-methoxycarbonyl butanoic acid PubChem CID: 68662 IUPAC Name: (2S)-2-amino-5-methoxy-5-oxopentanoic acid SMILES: COC(=O)CCC(C(=O)O)N

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Specifications

PubChem CID	68662
CAS	1499-55-4
Molecular Weight (g/mol)	161.157
SMILES	COC(=O)CCC(C(=O)O)N
Synonym	l-glutamic acid 5-methyl ester,h-glu ome-oh,polymethylglutamate,2s-2-amino-5-methoxy-5-oxopentanoic acid,l-glutamic acid gamma-methyl ester,5-methyl l-glutamate,l-glutamic acid, 5-methyl ester,2s-2-amino-5-methoxy-5-oxo-pentanoic acid,2s-2-amino-4-methoxycarbonyl butanoic acid
IUPAC Name	(2S)-2-amino-5-methoxy-5-oxopentanoic acid
InChI Key	ZGEYCCHDTIDZAE-BYPYZUCNSA-N
Molecular Formula	C6H11NO4

3,165

N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine 98.0+%, TCI America™

CAS: 82717-96-2 Molecular Formula: C15H21NO4 Molecular Weight (g/mol): 279.34 MDL Number: MFCD00209976 InChI Key: CEIWXEQZZZHLDM-AAEUAGOBSA-N Synonym: s-2-s-1-ethoxy-1-oxo-4-phenylbutan-2-yl amino propanoic acid,n-s-1-ethoxycarbonyl-3-phenylpropyl-l-alanine,unii-10sz4ij77b,n-1 s-ethoxycarbonyl-3-phenylpropyl-l-alanine,n-s-+-1-ethoxycarbonyl-3-phenylpropyl-l-alanine,2s-2-2s-1-ethoxy-1-oxo-4-phenylbutan-2-yl amino propanoic acid,s,s-n-ethoxy carbonyl-3-phenylpropyl alanine,n-s-1-carboxyethyl-l-homophenylalanine ethyl ester,s,s-n-1-ethoxycarbonyl-3-phenylpropyl alanine PubChem CID: 5702571 IUPAC Name: (2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoic acid SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(O)=O

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Specifications

PubChem CID	5702571
CAS	82717-96-2
Molecular Weight (g/mol)	279.34
MDL Number	MFCD00209976
SMILES	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(O)=O
Synonym	s-2-s-1-ethoxy-1-oxo-4-phenylbutan-2-yl amino propanoic acid,n-s-1-ethoxycarbonyl-3-phenylpropyl-l-alanine,unii-10sz4ij77b,n-1 s-ethoxycarbonyl-3-phenylpropyl-l-alanine,n-s-+-1-ethoxycarbonyl-3-phenylpropyl-l-alanine,2s-2-2s-1-ethoxy-1-oxo-4-phenylbutan-2-yl amino propanoic acid,s,s-n-ethoxy carbonyl-3-phenylpropyl alanine,n-s-1-carboxyethyl-l-homophenylalanine ethyl ester,s,s-n-1-ethoxycarbonyl-3-phenylpropyl alanine
IUPAC Name	(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoic acid
InChI Key	CEIWXEQZZZHLDM-AAEUAGOBSA-N
Molecular Formula	C15H21NO4

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