CAS RN: 4398-65-6
CAS Name: 2-chloro-2-methylhexane
OPENEYE Name: 2-chloro-2-methyl-hexane
IUPAC Name: 2-chloro-2-methylhexane
SYSTEMATIC NAME: 2-chloranyl-2-methyl-hexane
MOLECULAR FORMULA: C7H15Cl
MOLECULAR WEIGHT: 134.647
SMILES: CCCCC(C)(C)Cl
Structure:
CAS RN: 4395-98-6
CAS Name: 4-piperidinecarbonitrile
OPENEYE Name: piperidine-4-carbonitrile
IUPAC Name: piperidine-4-carbonitrile
SYSTEMATIC NAME: piperidine-4-carbonitrile
MOLECULAR FORMULA: C6H10N2
MOLECULAR WEIGHT: 110.157
SMILES: C1CNCCC1C#N
Structure:
CAS RN: 4395-87-3
CAS Name: 2-(4-propan-2-ylphenyl)acetonitrile
OPENEYE Name: 2-(4-isopropylphenyl)acetonitrile
IUPAC Name: 2-(4-propan-2-ylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-propan-2-ylphenyl)ethanenitrile
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC(C)C1=CC=C(C=C1)CC#N
Structure:
CAS RN: 4395-73-7
CAS Name: (4-propan-2-ylphenyl)methanamine
OPENEYE Name: (4-isopropylphenyl)methanamine
IUPAC Name: (4-propan-2-ylphenyl)methanamine
SYSTEMATIC NAME: (4-propan-2-ylphenyl)methanamine
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: CC(C)C1=CC=C(C=C1)CN
Structure:
CAS RN: 4394-93-8
CAS Name: N,N,N',N',1,1-hexafluoromethanediamine
OPENEYE Name: N,N,N',N',1,1-hexafluoromethanediamine
IUPAC Name: N,N,N',N',1,1-hexafluoromethanediamine
SYSTEMATIC NAME: N,N,N',N',1,1-hexakis(fluoranyl)methanediamine
MOLECULAR FORMULA: CF6N2
MOLECULAR WEIGHT: 154.014519
SMILES: C(N(F)F)(N(F)F)(F)F
Structure:
CAS RN: 4392-30-7
CAS Name: cyclobutylbenzene
OPENEYE Name: cyclobutylbenzene
IUPAC Name: cyclobutylbenzene
SYSTEMATIC NAME: cyclobutylbenzene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: C1CC(C1)C2=CC=CC=C2
Structure:
CAS RN: 4388-88-9
CAS Name: 2,2,5,5-tetramethylhexane-3,4-dione
OPENEYE Name: 2,2,5,5-tetramethylhexane-3,4-dione
IUPAC Name: 2,2,5,5-tetramethylhexane-3,4-dione
SYSTEMATIC NAME: 2,2,5,5-tetramethylhexane-3,4-dione
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CC(C)(C)C(=O)C(=O)C(C)(C)C
Structure:
CAS RN: 4388-87-8
CAS Name: 2,5-dimethylhexane-3,4-dione
OPENEYE Name: 2,5-dimethylhexane-3,4-dione
IUPAC Name: 2,5-dimethylhexane-3,4-dione
SYSTEMATIC NAME: 2,5-dimethylhexane-3,4-dione
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC(C)C(=O)C(=O)C(C)C
Structure:
CAS RN: 4388-03-8
CAS Name: 1-(1-aziridinyl)aziridine
OPENEYE Name: 1-(aziridin-1-yl)aziridine
IUPAC Name: 1-(aziridin-1-yl)aziridine
SYSTEMATIC NAME: 1-(aziridin-1-yl)aziridine
MOLECULAR FORMULA: C4H8N2
MOLECULAR WEIGHT: 84.11972
SMILES: C1CN1N2CC2
Structure:
CAS RN: 4384-23-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32
MOLECULAR WEIGHT: 320.51088
SMILES: C1CCCC2=CC=C(CCCCCCC3=CC=C(CC1)C=C3)C=C2
Structure:
CAS RN: 4383-18-0
CAS Name: 2-phenyl-2-pentanol
OPENEYE Name: 2-phenylpentan-2-ol
IUPAC Name: 2-phenylpentan-2-ol
SYSTEMATIC NAME: 2-phenylpentan-2-ol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CCCC(C)(C1=CC=CC=C1)O
Structure:
CAS RN: 4383-15-7
CAS Name: 1-phenylethenol
OPENEYE Name: 1-phenylethenol
IUPAC Name: 1-phenylethenol
SYSTEMATIC NAME: 1-phenylethenol
MOLECULAR FORMULA: C8H8O
MOLECULAR WEIGHT: 120.14852
SMILES: C=C(C1=CC=CC=C1)O
Structure:
CAS RN: 4383-11-3
CAS Name: 3-methyl-2-phenyl-2-butanol
OPENEYE Name: 3-methyl-2-phenyl-butan-2-ol
IUPAC Name: 3-methyl-2-phenylbutan-2-ol
SYSTEMATIC NAME: 3-methyl-2-phenyl-butan-2-ol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC(C)C(C)(C1=CC=CC=C1)O
Structure:
CAS RN: 4383-08-8
CAS Name: 2-methyl-1-phenyl-2-propen-1-ol
OPENEYE Name: 2-methyl-1-phenyl-prop-2-en-1-ol
IUPAC Name: 2-methyl-1-phenylprop-2-en-1-ol
SYSTEMATIC NAME: 2-methyl-1-phenyl-prop-2-en-1-ol
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC(=C)C(C1=CC=CC=C1)O
Structure:
CAS RN: 4382-75-6
CAS Name: formic acid methoxymethyl ester
OPENEYE Name: methoxymethyl formate
IUPAC Name: methoxymethyl formate
SYSTEMATIC NAME: methoxymethyl methanoate
MOLECULAR FORMULA: C3H6O3
MOLECULAR WEIGHT: 90.07794
SMILES: COCOC=O
Structure:
CAS RN: 4381-85-5
CAS Name: N2,N3-dimethylbutane-2,3-diimine
OPENEYE Name: N2,N3-dimethylbutane-2,3-diimine
IUPAC Name: 2-N,3-N-dimethylbutane-2,3-diimine
SYSTEMATIC NAME: N2,N3-dimethylbutane-2,3-diimine
MOLECULAR FORMULA: C6H12N2
MOLECULAR WEIGHT: 112.17288
SMILES: CC(=NC)C(=NC)C
Structure:
CAS RN: 4377-73-5
CAS Name: cyclohexa-2,5-diene-1,4-diimine
OPENEYE Name: cyclohexa-2,5-diene-1,4-diimine
IUPAC Name: cyclohexa-2,5-diene-1,4-diimine
SYSTEMATIC NAME: cyclohexa-2,5-diene-1,4-diimine
MOLECULAR FORMULA: C6H6N2
MOLECULAR WEIGHT: 106.12524
SMILES: C1=CC(=N)C=CC1=N
Structure:
CAS RN: 4372-94-5
CAS Name: 1,1-dimethyl-2-methylenecyclopropane
OPENEYE Name: 1,1-dimethyl-2-methylene-cyclopropane
IUPAC Name: 1,1-dimethyl-2-methylidenecyclopropane
SYSTEMATIC NAME: 1,1-dimethyl-2-methylidene-cyclopropane
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC1(CC1=C)C
Structure:
CAS RN: 4371-74-8
CAS Name: 2-dodecylpropanedioic acid
OPENEYE Name: 2-dodecylpropanedioic acid
IUPAC Name: 2-dodecylpropanedioic acid
SYSTEMATIC NAME: 2-dodecylpropanedioic acid
MOLECULAR FORMULA: C15H28O4
MOLECULAR WEIGHT: 272.38042
SMILES: CCCCCCCCCCCCC(C(=O)O)C(=O)O
Structure:
CAS RN: 4371-48-6
CAS Name: 2-methyl-3-propan-2-ylphenol
OPENEYE Name: 3-isopropyl-2-methyl-phenol
IUPAC Name: 2-methyl-3-propan-2-ylphenol
SYSTEMATIC NAME: 2-methyl-3-propan-2-yl-phenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1=C(C=CC=C1O)C(C)C
Structure:
CAS RN: 4371-46-4
CAS Name: 4-methyl-3-propan-2-ylphenol
OPENEYE Name: 3-isopropyl-4-methyl-phenol
IUPAC Name: 4-methyl-3-propan-2-ylphenol
SYSTEMATIC NAME: 4-methyl-3-propan-2-yl-phenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1=C(C=C(C=C1)O)C(C)C
Structure:
CAS RN: 4368-68-7
CAS Name: 1-(phenylmethyl)triazole
OPENEYE Name: 1-benzyltriazole
IUPAC Name: 1-benzyltriazole
SYSTEMATIC NAME: 1-(phenylmethyl)-1,2,3-triazole
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: C1=CC=C(C=C1)CN2C=CN=N2
Structure:
CAS RN: 4363-25-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: C1CN2CCC1C3=CC=CC=C32
Structure:
CAS RN: 4362-68-9
CAS Name: 4,5-dimethylene-1,3-dioxolane
OPENEYE Name: 4,5-dimethylene-1,3-dioxolane
IUPAC Name: 4,5-dimethylidene-1,3-dioxolane
SYSTEMATIC NAME: 4,5-dimethylidene-1,3-dioxolane
MOLECULAR FORMULA: C5H6O2
MOLECULAR WEIGHT: 98.09994
SMILES: C=C1C(=C)OCO1
Structure:
CAS RN: 4362-24-7
CAS Name: 4-methylene-1,3-dioxolane
OPENEYE Name: 4-methylene-1,3-dioxolane
IUPAC Name: 4-methylidene-1,3-dioxolane
SYSTEMATIC NAME: 4-methylidene-1,3-dioxolane
MOLECULAR FORMULA: C4H6O2
MOLECULAR WEIGHT: 86.08924
SMILES: C=C1COCO1
Structure:
CAS RN: 4362-13-4
CAS Name: dioxolane
OPENEYE Name: dioxolane
IUPAC Name: dioxolane
SYSTEMATIC NAME: 1,2-dioxolane
MOLECULAR FORMULA: C3H6O2
MOLECULAR WEIGHT: 74.07854
SMILES: C1COOC1
Structure:
CAS RN: 4361-47-1
CAS Name: 2-(oxomethylidene)propanedinitrile
OPENEYE Name: 2-(oxomethylene)propanedinitrile
IUPAC Name: 2-(oxomethylidene)propanedinitrile
SYSTEMATIC NAME: 2-(oxidanylidenemethylidene)propanedinitrile
MOLECULAR FORMULA: C4N2O
MOLECULAR WEIGHT: 92.0556
SMILES: C(=C(C#N)C#N)=O
Structure:
CAS RN: 4352-44-7
CAS Name: 1-cyclohexyl-2-propen-1-ol
OPENEYE Name: 1-cyclohexylprop-2-en-1-ol
IUPAC Name: 1-cyclohexylprop-2-en-1-ol
SYSTEMATIC NAME: 1-cyclohexylprop-2-en-1-ol
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: C=CC(C1CCCCC1)O
Structure:
CAS RN: 4350-84-9
CAS Name: 3-oxabicyclo[2.2.2]octan-2-one
OPENEYE Name: 3-oxabicyclo[2.2.2]octan-2-one
IUPAC Name: 3-oxabicyclo[2.2.2]octan-2-one
SYSTEMATIC NAME: 3-oxabicyclo[2.2.2]octan-2-one
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: C1CC2CCC1C(=O)O2
Structure:
CAS RN: 4348-35-0
CAS Name: 2-methylbutane
OPENEYE Name: 2-methylbutane
IUPAC Name: 2-methylbutane
SYSTEMATIC NAME: 2-methylbutane
MOLECULAR FORMULA: C5H11
MOLECULAR WEIGHT: 71.14084
SMILES: CC[C](C)C
Structure:
CAS RN: 4342-40-9
CAS Name: 1,2,3,4,5,6-hexakis(triprotiomethyl)benzene
OPENEYE Name: 1,2,3,4,5,6-hexakis(triprotiomethyl)benzene
IUPAC Name: 1,2,3,4,5,6-hexakis(triprotiomethyl)benzene
SYSTEMATIC NAME: 1,2,3,4,5,6-hexakis(triprotiomethyl)benzene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.269251
SMILES: [1H]C([1H])([1H])C1=C(C(=C(C(=C1C([1H])([1H])[1H])C([1H])([1H])[1H])C([1H])([1H])[1H])C([1H])([1H])[1H])C([1H])([1H])[1H]
Structure:
CAS RN: 4341-34-8
CAS Name: 2-(thiophen-2-ylmethyl)thiophene
OPENEYE Name: 2-(2-thienylmethyl)thiophene
IUPAC Name: 2-(thiophen-2-ylmethyl)thiophene
SYSTEMATIC NAME: 2-(thiophen-2-ylmethyl)thiophene
MOLECULAR FORMULA: C9H8S2
MOLECULAR WEIGHT: 180.28982
SMILES: C1=CSC(=C1)CC2=CC=CS2
Structure:
CAS RN: 4331-98-0
CAS Name: 1,2-dinitrosoethene
OPENEYE Name: 1,2-dinitrosoethylene
IUPAC Name: 1,2-dinitrosoethene
SYSTEMATIC NAME: 1,2-dinitrosoethene
MOLECULAR FORMULA: C2N2O2
MOLECULAR WEIGHT: 84.0336
SMILES: [C-](=[C+]N=O)N=O
Structure:
CAS RN: 4325-82-0
CAS Name: 4-methyl-3-penten-2-ol
OPENEYE Name: 4-methylpent-3-en-2-ol
IUPAC Name: 4-methylpent-3-en-2-ol
SYSTEMATIC NAME: 4-methylpent-3-en-2-ol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC(C=C(C)C)O
Structure:
CAS RN: 4325-50-2
CAS Name: 2-chloro-2-methylnonane
OPENEYE Name: 2-chloro-2-methyl-nonane
IUPAC Name: 2-chloro-2-methylnonane
SYSTEMATIC NAME: 2-chloranyl-2-methyl-nonane
MOLECULAR FORMULA: C10H21Cl
MOLECULAR WEIGHT: 176.72674
SMILES: CCCCCCCC(C)(C)Cl
Structure:
CAS RN: 24319-09-3
CAS Name: 2-chloro-3-methylpentane
OPENEYE Name: 2-chloro-3-methyl-pentane
IUPAC Name: 2-chloro-3-methylpentane
SYSTEMATIC NAME: 2-chloranyl-3-methyl-pentane
MOLECULAR FORMULA: C6H13Cl
MOLECULAR WEIGHT: 120.62042
SMILES: CCC(C)C(C)Cl
Structure:
CAS RN: 4325-48-8
CAS Name: 2-chloro-3-methylpentane
OPENEYE Name: 2-chloro-3-methyl-pentane
IUPAC Name: 2-chloro-3-methylpentane
SYSTEMATIC NAME: 2-chloranyl-3-methyl-pentane
MOLECULAR FORMULA: C6H13Cl
MOLECULAR WEIGHT: 120.62042
SMILES: CCC(C)C(C)Cl
Structure:
CAS RN: 4316-37-4
CAS Name: 1,1-diethoxyethylbenzene
OPENEYE Name: 1,1-diethoxyethylbenzene
IUPAC Name: 1,1-diethoxyethylbenzene
SYSTEMATIC NAME: 1,1-diethoxyethylbenzene
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CCOC(C)(C1=CC=CC=C1)OCC
Structure:
CAS RN: 4314-94-7
CAS Name: trimethyl-(phenylmethyl)stannane
OPENEYE Name: benzyl(trimethyl)stannane
IUPAC Name: benzyl(trimethyl)stannane
SYSTEMATIC NAME: trimethyl-(phenylmethyl)stannane
MOLECULAR FORMULA: C10H16Sn
MOLECULAR WEIGHT: 254.94404
SMILES: C[Sn](C)(C)CC1=CC=CC=C1
Structure:
CAS RN: 4312-76-9
CAS Name: 1-hydroperoxyhexane
OPENEYE Name: 1-hydroperoxyhexane
IUPAC Name: 1-hydroperoxyhexane
SYSTEMATIC NAME: 1-(dioxidanyl)hexane
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CCCCCCOO
Structure:
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