3-(chloromethyl)cyclohexene

C7H11Cl — CID 556838

IUPAC3-(chloromethyl)cyclohexene
SMILESClCC1C=CCCC1
InChIInChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKeyAACCMFFWOVQQHD-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.58
Rot. Bonds1

About 3-(chloromethyl)cyclohexene

3-(chloromethyl)cyclohexene (PubChem CID 556838) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 3-(chloromethyl)cyclohexene.

Molecular Properties

Compound Name3-(chloromethyl)cyclohexene
PubChem CID556838
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name3-(chloromethyl)cyclohexene
SMILESClCC1C=CCCC1
InChIInChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKeyAACCMFFWOVQQHD-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.58
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 3-(chloromethyl)cyclohexene 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

4-Chlorocyclohexene
CID 13592
3-Chlorocyclohexene
CID 17120
7-Chloronorbornadiene
CID 137106
4-(Chloromethyl)cyclohexene
CID 556956
1-Chloro-6-methylcyclohexene
CID 565192
1-Chloro-2-(cyclohex-3-enyl)ethane
CID 12480857
3-(2-Chloroethyl)cyclohexene
CID 13866449
(3R)-3-(6-chlorohexyl)cyclohexene
CID 117821880
Vinyl-dichlorocyclohexene
CID 129718062
4-(1,3,3,3-Tetrachloropropyl)cyclohex-1-ene
CID 252937
6-Chloro-1-fluoro-3-methylcyclohexene
CID 89143029
(3R)-4-(chloromethyl)-3,5-difluorocyclohexene
CID 89203561

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)cyclohexene?
The IUPAC name of 3-(chloromethyl)cyclohexene (CID 556838) is 3-(chloromethyl)cyclohexene.
What is the SMILES notation for 3-(chloromethyl)cyclohexene?
The canonical SMILES for 3-(chloromethyl)cyclohexene is ClCC1C=CCCC1.
What is the InChIKey of 3-(chloromethyl)cyclohexene?
The InChIKey is AACCMFFWOVQQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2.
What are the key properties of 3-(chloromethyl)cyclohexene?
3-(chloromethyl)cyclohexene has a molecular weight of 130.62 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)cyclohexene is sourced from PubChem (CID 556838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).