4,4-dichloro-1-methylcyclopentene

C6H8Cl2 — CID 13130413

IUPAC4,4-dichloro-1-methylcyclopentene
SMILESCC1=CCC(Cl)(Cl)C1
InChIInChI=1S/C6H8Cl2/c1-5-2-3-6(7,8)4-5/h2H,3-4H2,1H3
InChIKeyQEZIATUCYQUIAK-UHFFFAOYSA-N
MW151.04 g/mol
LogP2.90
Rot. Bonds

About 4,4-dichloro-1-methylcyclopentene

4,4-dichloro-1-methylcyclopentene (PubChem CID 13130413) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is 4,4-dichloro-1-methylcyclopentene.

Molecular Properties

Compound Name4,4-dichloro-1-methylcyclopentene
PubChem CID13130413
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name4,4-dichloro-1-methylcyclopentene
SMILESCC1=CCC(Cl)(Cl)C1
InChIInChI=1S/C6H8Cl2/c1-5-2-3-6(7,8)4-5/h2H,3-4H2,1H3
InChIKeyQEZIATUCYQUIAK-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.04
LogP ≤ 52.90
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-methylcyclopentene?
The IUPAC name of 4,4-dichloro-1-methylcyclopentene (CID 13130413) is 4,4-dichloro-1-methylcyclopentene.
What is the SMILES notation for 4,4-dichloro-1-methylcyclopentene?
The canonical SMILES for 4,4-dichloro-1-methylcyclopentene is CC1=CCC(Cl)(Cl)C1.
What is the InChIKey of 4,4-dichloro-1-methylcyclopentene?
The InChIKey is QEZIATUCYQUIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2/c1-5-2-3-6(7,8)4-5/h2H,3-4H2,1H3.
What are the key properties of 4,4-dichloro-1-methylcyclopentene?
4,4-dichloro-1-methylcyclopentene has a molecular weight of 151.04 g/mol, XLogP of 2.90, 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-methylcyclopentene is sourced from PubChem (CID 13130413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).