4,4-dichloro-1,2-dimethylcyclohexene

C8H12Cl2 — CID 89117662

IUPAC4,4-dichloro-1,2-dimethylcyclohexene
SMILESCC1=C(C)CC(Cl)(Cl)CC1
InChIInChI=1S/C8H12Cl2/c1-6-3-4-8(9,10)5-7(6)2/h3-5H2,1-2H3
InChIKeyGSYNZHGODREJOW-UHFFFAOYSA-N
MW179.09 g/mol
LogP3.68
Rot. Bonds

About 4,4-dichloro-1,2-dimethylcyclohexene

4,4-dichloro-1,2-dimethylcyclohexene (PubChem CID 89117662) has the molecular formula C8H12Cl2 and a molecular weight of 179.09 g/mol. Its IUPAC name is 4,4-dichloro-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name4,4-dichloro-1,2-dimethylcyclohexene
PubChem CID89117662
Molecular FormulaC8H12Cl2
Molecular Weight179.09 g/mol
Exact Mass178.03
IUPAC Name4,4-dichloro-1,2-dimethylcyclohexene
SMILESCC1=C(C)CC(Cl)(Cl)CC1
InChIInChI=1S/C8H12Cl2/c1-6-3-4-8(9,10)5-7(6)2/h3-5H2,1-2H3
InChIKeyGSYNZHGODREJOW-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 ≤ 500179.09
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 4,4-dichloro-1,2-dimethylcyclohexene?
The IUPAC name of 4,4-dichloro-1,2-dimethylcyclohexene (CID 89117662) is 4,4-dichloro-1,2-dimethylcyclohexene.
What is the SMILES notation for 4,4-dichloro-1,2-dimethylcyclohexene?
The canonical SMILES for 4,4-dichloro-1,2-dimethylcyclohexene is CC1=C(C)CC(Cl)(Cl)CC1.
What is the InChIKey of 4,4-dichloro-1,2-dimethylcyclohexene?
The InChIKey is GSYNZHGODREJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2/c1-6-3-4-8(9,10)5-7(6)2/h3-5H2,1-2H3.
What are the key properties of 4,4-dichloro-1,2-dimethylcyclohexene?
4,4-dichloro-1,2-dimethylcyclohexene has a molecular weight of 179.09 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 4,4-dichloro-1,2-dimethylcyclohexene is sourced from PubChem (CID 89117662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).