4,5-dichlorocyclohexene

C6H8Cl2 — CID 11217345

IUPAC4,5-dichlorocyclohexene
SMILESClC1CC=CCC1Cl
InChIInChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2
InChIKeyIXCFDFOLHPYMRD-UHFFFAOYSA-N
MW151.04 g/mol
LogP2.55
Rot. Bonds

About 4,5-dichlorocyclohexene

4,5-dichlorocyclohexene (PubChem CID 11217345) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is 4,5-dichlorocyclohexene.

Molecular Properties

Compound Name4,5-dichlorocyclohexene
PubChem CID11217345
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name4,5-dichlorocyclohexene
SMILESClC1CC=CCC1Cl
InChIInChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2
InChIKeyIXCFDFOLHPYMRD-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.04
LogP ≤ 52.55
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 4,5-dichlorocyclohexene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorocyclohexene?
The IUPAC name of 4,5-dichlorocyclohexene (CID 11217345) is 4,5-dichlorocyclohexene.
What is the SMILES notation for 4,5-dichlorocyclohexene?
The canonical SMILES for 4,5-dichlorocyclohexene is ClC1CC=CCC1Cl.
What is the InChIKey of 4,5-dichlorocyclohexene?
The InChIKey is IXCFDFOLHPYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2.
What are the key properties of 4,5-dichlorocyclohexene?
4,5-dichlorocyclohexene has a molecular weight of 151.04 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorocyclohexene is sourced from PubChem (CID 11217345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).