1,2,3,4-tetrachloro-5-methylidenecyclohexane

C7H8Cl4 — CID 90888986

IUPAC1,2,3,4-tetrachloro-5-methylidenecyclohexane
SMILESC=C1CC(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C7H8Cl4/c1-3-2-4(8)6(10)7(11)5(3)9/h4-7H,1-2H2
InChIKeyCZVMGZUHSFNNRA-UHFFFAOYSA-N
MW233.95 g/mol
LogP3.38
Rot. Bonds

About 1,2,3,4-tetrachloro-5-methylidenecyclohexane

1,2,3,4-tetrachloro-5-methylidenecyclohexane (PubChem CID 90888986) has the molecular formula C7H8Cl4 and a molecular weight of 233.95 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5-methylidenecyclohexane.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5-methylidenecyclohexane
PubChem CID90888986
Molecular FormulaC7H8Cl4
Molecular Weight233.95 g/mol
Exact Mass231.94
IUPAC Name1,2,3,4-tetrachloro-5-methylidenecyclohexane
SMILESC=C1CC(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C7H8Cl4/c1-3-2-4(8)6(10)7(11)5(3)9/h4-7H,1-2H2
InChIKeyCZVMGZUHSFNNRA-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.95
LogP ≤ 53.38
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 1,2,3,4-tetrachloro-5-methylidenecyclohexane?
The IUPAC name of 1,2,3,4-tetrachloro-5-methylidenecyclohexane (CID 90888986) is 1,2,3,4-tetrachloro-5-methylidenecyclohexane.
What is the SMILES notation for 1,2,3,4-tetrachloro-5-methylidenecyclohexane?
The canonical SMILES for 1,2,3,4-tetrachloro-5-methylidenecyclohexane is C=C1CC(Cl)C(Cl)C(Cl)C1Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-5-methylidenecyclohexane?
The InChIKey is CZVMGZUHSFNNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl4/c1-3-2-4(8)6(10)7(11)5(3)9/h4-7H,1-2H2.
What are the key properties of 1,2,3,4-tetrachloro-5-methylidenecyclohexane?
1,2,3,4-tetrachloro-5-methylidenecyclohexane has a molecular weight of 233.95 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-5-methylidenecyclohexane is sourced from PubChem (CID 90888986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).