3,4,5,6-tetrachlorocyclohexene

C6H6Cl4 — CID 15691

IUPAC3,4,5,6-tetrachlorocyclohexene
SMILESClC1C=CC(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H6Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-6H
InChIKeyCHTOKGBXCBVHQO-UHFFFAOYSA-N
MW219.93 g/mol
LogP2.99
Rot. Bonds

About 3,4,5,6-tetrachlorocyclohexene

3,4,5,6-tetrachlorocyclohexene (PubChem CID 15691) has the molecular formula C6H6Cl4 and a molecular weight of 219.93 g/mol. Its IUPAC name is 3,4,5,6-tetrachlorocyclohexene.

Molecular Properties

Compound Name3,4,5,6-tetrachlorocyclohexene
PubChem CID15691
Molecular FormulaC6H6Cl4
Molecular Weight219.93 g/mol
Exact Mass217.92
IUPAC Name3,4,5,6-tetrachlorocyclohexene
SMILESClC1C=CC(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H6Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-6H
InChIKeyCHTOKGBXCBVHQO-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.93
LogP ≤ 52.99
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 3,4,5,6-tetrachlorocyclohexene 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 3,4,5,6-tetrachlorocyclohexene?
The IUPAC name of 3,4,5,6-tetrachlorocyclohexene (CID 15691) is 3,4,5,6-tetrachlorocyclohexene.
What is the SMILES notation for 3,4,5,6-tetrachlorocyclohexene?
The canonical SMILES for 3,4,5,6-tetrachlorocyclohexene is ClC1C=CC(Cl)C(Cl)C1Cl.
What is the InChIKey of 3,4,5,6-tetrachlorocyclohexene?
The InChIKey is CHTOKGBXCBVHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-6H.
What are the key properties of 3,4,5,6-tetrachlorocyclohexene?
3,4,5,6-tetrachlorocyclohexene has a molecular weight of 219.93 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachlorocyclohexene is sourced from PubChem (CID 15691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).