1,1,2,2,3,3-hexachlorocyclohexane

C6H6Cl6 — CID 22272158

IUPAC1,1,2,2,3,3-hexachlorocyclohexane
SMILESClC1(Cl)CCCC(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C6H6Cl6/c7-4(8)2-1-3-5(9,10)6(4,11)12/h1-3H2
InChIKeyJCMKNCBLXDQLEA-UHFFFAOYSA-N
MW290.83 g/mol
LogP4.69
Rot. Bonds

About 1,1,2,2,3,3-hexachlorocyclohexane

1,1,2,2,3,3-hexachlorocyclohexane (PubChem CID 22272158) has the molecular formula C6H6Cl6 and a molecular weight of 290.83 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexachlorocyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexachlorocyclohexane
PubChem CID22272158
Molecular FormulaC6H6Cl6
Molecular Weight290.83 g/mol
Exact Mass287.86
IUPAC Name1,1,2,2,3,3-hexachlorocyclohexane
SMILESClC1(Cl)CCCC(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C6H6Cl6/c7-4(8)2-1-3-5(9,10)6(4,11)12/h1-3H2
InChIKeyJCMKNCBLXDQLEA-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexachlorocyclohexane?
The IUPAC name of 1,1,2,2,3,3-hexachlorocyclohexane (CID 22272158) is 1,1,2,2,3,3-hexachlorocyclohexane.
What is the SMILES notation for 1,1,2,2,3,3-hexachlorocyclohexane?
The canonical SMILES for 1,1,2,2,3,3-hexachlorocyclohexane is ClC1(Cl)CCCC(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 1,1,2,2,3,3-hexachlorocyclohexane?
The InChIKey is JCMKNCBLXDQLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6/c7-4(8)2-1-3-5(9,10)6(4,11)12/h1-3H2.
What are the key properties of 1,1,2,2,3,3-hexachlorocyclohexane?
1,1,2,2,3,3-hexachlorocyclohexane has a molecular weight of 290.83 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexachlorocyclohexane is sourced from PubChem (CID 22272158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).