3,5-dichloro-3,5-dimethylcyclohexene

C8H12Cl2 — CID 18407185

IUPAC3,5-dichloro-3,5-dimethylcyclohexene
SMILESCC1(Cl)C=CCC(C)(Cl)C1
InChIInChI=1S/C8H12Cl2/c1-7(9)4-3-5-8(2,10)6-7/h3-4H,5-6H2,1-2H3
InChIKeyPJKMXNNJUBGEGR-UHFFFAOYSA-N
MW179.09 g/mol
LogP3.33
Rot. Bonds

About 3,5-dichloro-3,5-dimethylcyclohexene

3,5-dichloro-3,5-dimethylcyclohexene (PubChem CID 18407185) has the molecular formula C8H12Cl2 and a molecular weight of 179.09 g/mol. Its IUPAC name is 3,5-dichloro-3,5-dimethylcyclohexene.

Molecular Properties

Compound Name3,5-dichloro-3,5-dimethylcyclohexene
PubChem CID18407185
Molecular FormulaC8H12Cl2
Molecular Weight179.09 g/mol
Exact Mass178.03
IUPAC Name3,5-dichloro-3,5-dimethylcyclohexene
SMILESCC1(Cl)C=CCC(C)(Cl)C1
InChIInChI=1S/C8H12Cl2/c1-7(9)4-3-5-8(2,10)6-7/h3-4H,5-6H2,1-2H3
InChIKeyPJKMXNNJUBGEGR-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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 3,5-dichloro-3,5-dimethylcyclohexene?
The IUPAC name of 3,5-dichloro-3,5-dimethylcyclohexene (CID 18407185) is 3,5-dichloro-3,5-dimethylcyclohexene.
What is the SMILES notation for 3,5-dichloro-3,5-dimethylcyclohexene?
The canonical SMILES for 3,5-dichloro-3,5-dimethylcyclohexene is CC1(Cl)C=CCC(C)(Cl)C1.
What is the InChIKey of 3,5-dichloro-3,5-dimethylcyclohexene?
The InChIKey is PJKMXNNJUBGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2/c1-7(9)4-3-5-8(2,10)6-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 3,5-dichloro-3,5-dimethylcyclohexene?
3,5-dichloro-3,5-dimethylcyclohexene has a molecular weight of 179.09 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-3,5-dimethylcyclohexene is sourced from PubChem (CID 18407185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).