1,1,2,3,4-pentachlorocyclohexane

C6H7Cl5 — CID 54156821

IUPAC1,1,2,3,4-pentachlorocyclohexane
SMILESClC1CCC(Cl)(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H7Cl5/c7-3-1-2-6(10,11)5(9)4(3)8/h3-5H,1-2H2
InChIKeyOLQYBRLOFJIVRZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.78
Rot. Bonds

About 1,1,2,3,4-pentachlorocyclohexane

1,1,2,3,4-pentachlorocyclohexane (PubChem CID 54156821) has the molecular formula C6H7Cl5 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,1,2,3,4-pentachlorocyclohexane.

Molecular Properties

Compound Name1,1,2,3,4-pentachlorocyclohexane
PubChem CID54156821
Molecular FormulaC6H7Cl5
Molecular Weight256.39 g/mol
Exact Mass253.90
IUPAC Name1,1,2,3,4-pentachlorocyclohexane
SMILESClC1CCC(Cl)(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H7Cl5/c7-3-1-2-6(10,11)5(9)4(3)8/h3-5H,1-2H2
InChIKeyOLQYBRLOFJIVRZ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.78
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 1,1,2,3,4-pentachlorocyclohexane?
The IUPAC name of 1,1,2,3,4-pentachlorocyclohexane (CID 54156821) is 1,1,2,3,4-pentachlorocyclohexane.
What is the SMILES notation for 1,1,2,3,4-pentachlorocyclohexane?
The canonical SMILES for 1,1,2,3,4-pentachlorocyclohexane is ClC1CCC(Cl)(Cl)C(Cl)C1Cl.
What is the InChIKey of 1,1,2,3,4-pentachlorocyclohexane?
The InChIKey is OLQYBRLOFJIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl5/c7-3-1-2-6(10,11)5(9)4(3)8/h3-5H,1-2H2.
What are the key properties of 1,1,2,3,4-pentachlorocyclohexane?
1,1,2,3,4-pentachlorocyclohexane has a molecular weight of 256.39 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4-pentachlorocyclohexane is sourced from PubChem (CID 54156821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).