3,3,5,5-tetrachlorocyclohexene

C6H6Cl4 — CID 22137318

IUPAC3,3,5,5-tetrachlorocyclohexene
SMILESClC1(Cl)C=CCC(Cl)(Cl)C1
InChIInChI=1S/C6H6Cl4/c7-5(8)2-1-3-6(9,10)4-5/h1-2H,3-4H2
InChIKeyBOKDWYWAHIORIE-UHFFFAOYSA-N
MW219.93 g/mol
LogP3.68
Rot. Bonds

About 3,3,5,5-tetrachlorocyclohexene

3,3,5,5-tetrachlorocyclohexene (PubChem CID 22137318) has the molecular formula C6H6Cl4 and a molecular weight of 219.93 g/mol. Its IUPAC name is 3,3,5,5-tetrachlorocyclohexene.

Molecular Properties

Compound Name3,3,5,5-tetrachlorocyclohexene
PubChem CID22137318
Molecular FormulaC6H6Cl4
Molecular Weight219.93 g/mol
Exact Mass217.92
IUPAC Name3,3,5,5-tetrachlorocyclohexene
SMILESClC1(Cl)C=CCC(Cl)(Cl)C1
InChIInChI=1S/C6H6Cl4/c7-5(8)2-1-3-6(9,10)4-5/h1-2H,3-4H2
InChIKeyBOKDWYWAHIORIE-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetrachlorocyclohexene?
The IUPAC name of 3,3,5,5-tetrachlorocyclohexene (CID 22137318) is 3,3,5,5-tetrachlorocyclohexene.
What is the SMILES notation for 3,3,5,5-tetrachlorocyclohexene?
The canonical SMILES for 3,3,5,5-tetrachlorocyclohexene is ClC1(Cl)C=CCC(Cl)(Cl)C1.
What is the InChIKey of 3,3,5,5-tetrachlorocyclohexene?
The InChIKey is BOKDWYWAHIORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl4/c7-5(8)2-1-3-6(9,10)4-5/h1-2H,3-4H2.
What are the key properties of 3,3,5,5-tetrachlorocyclohexene?
3,3,5,5-tetrachlorocyclohexene has a molecular weight of 219.93 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetrachlorocyclohexene is sourced from PubChem (CID 22137318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).