1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene

C12H19Cl — CID 10997998

IUPAC1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene
SMILESCC(C)(C)/C=C(\Cl)C1=CCCCC1
InChIInChI=1S/C12H19Cl/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h7,9H,4-6,8H2,1-3H3/b11-9-
InChIKeyLVCHSXQJJSDKAJ-LUAWRHEFSA-N
MW198.74 g/mol
LogP4.66
Rot. Bonds1

About 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene

1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene (PubChem CID 10997998) has the molecular formula C12H19Cl and a molecular weight of 198.74 g/mol. Its IUPAC name is 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene.

Molecular Properties

Compound Name1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene
PubChem CID10997998
Molecular FormulaC12H19Cl
Molecular Weight198.74 g/mol
Exact Mass198.12
IUPAC Name1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene
SMILESCC(C)(C)/C=C(\Cl)C1=CCCCC1
InChIInChI=1S/C12H19Cl/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h7,9H,4-6,8H2,1-3H3/b11-9-
InChIKeyLVCHSXQJJSDKAJ-LUAWRHEFSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.74
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
1-(3,3-dimethylbut-1-en-2-yl)cyclohexene
CID 91451932
1-[(Z)-2-bis(ethylsulfanyl)phosphoryl-1-chloroethenyl]cyclohexene
CID 12673266
1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
CID 12672249
1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol
CID 161095188
2-(cyclohexen-1-yl)-3,4,4-trimethylpent-2-enal
CID 140525623
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
CID 67914178
1-(3-methylbut-2-en-2-yl)cycloheptene
CID 101022313
1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
CID 106651815
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene?
The IUPAC name of 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene (CID 10997998) is 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene.
What is the SMILES notation for 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene?
The canonical SMILES for 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene is CC(C)(C)/C=C(\Cl)C1=CCCCC1.
What is the InChIKey of 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene?
The InChIKey is LVCHSXQJJSDKAJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H19Cl/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h7,9H,4-6,8H2,1-3H3/b11-9-.
What are the key properties of 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene?
1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene has a molecular weight of 198.74 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene is sourced from PubChem (CID 10997998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).