4-chloro-4-methylcyclohexene

C7H11Cl — CID 14144779

IUPAC4-chloro-4-methylcyclohexene
SMILESCC1(Cl)CC=CCC1
InChIInChI=1S/C7H11Cl/c1-7(8)5-3-2-4-6-7/h2-3H,4-6H2,1H3
InChIKeyXCHRGYSYGPPVQO-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.72
Rot. Bonds

About 4-chloro-4-methylcyclohexene

4-chloro-4-methylcyclohexene (PubChem CID 14144779) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 4-chloro-4-methylcyclohexene.

Molecular Properties

Compound Name4-chloro-4-methylcyclohexene
PubChem CID14144779
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name4-chloro-4-methylcyclohexene
SMILESCC1(Cl)CC=CCC1
InChIInChI=1S/C7H11Cl/c1-7(8)5-3-2-4-6-7/h2-3H,4-6H2,1H3
InChIKeyXCHRGYSYGPPVQO-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-chloro-4-methylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[(1S)-1-carboxycyclohex-3-en-1-yl]cyclohex-3-ene-1-carboxylic acid
CID 175074133
ethane;spiro[3.5]non-7-ene
CID 144945784
N,N,1-trimethylcyclohex-3-en-1-amine
CID 151783099
spiro[4.6]undeca-2,8-diene
CID 123157263
2-methyl-2-(1-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134993895
10,10-dimethylspiro[5.5]undec-3-ene
CID 141056322
4-ethyl-4-propan-2-ylcyclohexene
CID 23385010
(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene
CID 143371902
(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene
CID 22787987
5,5-difluorocycloheptene;ethane
CID 178087768
2,5-dimethyl-1-(1-methylcyclohex-3-en-1-yl)pyrrole
CID 131198085
ethane;2-methylspiro[3.5]non-7-ene
CID 144979044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-methylcyclohexene?
The IUPAC name of 4-chloro-4-methylcyclohexene (CID 14144779) is 4-chloro-4-methylcyclohexene.
What is the SMILES notation for 4-chloro-4-methylcyclohexene?
The canonical SMILES for 4-chloro-4-methylcyclohexene is CC1(Cl)CC=CCC1.
What is the InChIKey of 4-chloro-4-methylcyclohexene?
The InChIKey is XCHRGYSYGPPVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c1-7(8)5-3-2-4-6-7/h2-3H,4-6H2,1H3.
What are the key properties of 4-chloro-4-methylcyclohexene?
4-chloro-4-methylcyclohexene has a molecular weight of 130.62 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-methylcyclohexene is sourced from PubChem (CID 14144779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).