4,4-dichloro-1,2-dimethylcyclopentene

C7H10Cl2 — CID 13433963

IUPAC4,4-dichloro-1,2-dimethylcyclopentene
SMILESCC1=C(C)CC(Cl)(Cl)C1
InChIInChI=1S/C7H10Cl2/c1-5-3-7(8,9)4-6(5)2/h3-4H2,1-2H3
InChIKeyBZXUDNKMRRTWTE-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.29
Rot. Bonds

About 4,4-dichloro-1,2-dimethylcyclopentene

4,4-dichloro-1,2-dimethylcyclopentene (PubChem CID 13433963) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 4,4-dichloro-1,2-dimethylcyclopentene.

Molecular Properties

Compound Name4,4-dichloro-1,2-dimethylcyclopentene
PubChem CID13433963
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name4,4-dichloro-1,2-dimethylcyclopentene
SMILESCC1=C(C)CC(Cl)(Cl)C1
InChIInChI=1S/C7H10Cl2/c1-5-3-7(8,9)4-6(5)2/h3-4H2,1-2H3
InChIKeyBZXUDNKMRRTWTE-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.29
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-dimethylcyclopentene?
The IUPAC name of 4,4-dichloro-1,2-dimethylcyclopentene (CID 13433963) is 4,4-dichloro-1,2-dimethylcyclopentene.
What is the SMILES notation for 4,4-dichloro-1,2-dimethylcyclopentene?
The canonical SMILES for 4,4-dichloro-1,2-dimethylcyclopentene is CC1=C(C)CC(Cl)(Cl)C1.
What is the InChIKey of 4,4-dichloro-1,2-dimethylcyclopentene?
The InChIKey is BZXUDNKMRRTWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-5-3-7(8,9)4-6(5)2/h3-4H2,1-2H3.
What are the key properties of 4,4-dichloro-1,2-dimethylcyclopentene?
4,4-dichloro-1,2-dimethylcyclopentene has a molecular weight of 165.06 g/mol, XLogP of 3.29, 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-dimethylcyclopentene is sourced from PubChem (CID 13433963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).