1,1-dichlorocyclopentane

• ChemBase ID: 111753
• Molecular Formular: C5H8Cl2
• Molecular Mass: 139.02302
• Monoisotopic Mass: 138.00030562
• SMILES: ClC1(Cl)CCCC1
• Canonical SMILES: ClC1(Cl)CCCC1
• InChI: InChI=1S/C5H8Cl2/c6-5(7)3-1-2-4-5/h1-4H2
• InChIKey: XZBCEESOMMQJJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichlorocyclopentane
• IUPAC Traditional name: 1,1-dichlorocyclopentane
• Synonyms: 1,1-DICHLOROCYCLOPENTANE

Database IDs

• CAS Number: 31038-06-9
• PubChem SID: 162096632
• PubChem CID: 549142

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5765538
• LogD (pH = 7.4): 2.5765538
• Log P: 2.5765538
• Molar Refractivity: 33.437798 cm^3
• Polarizability: 12.921813 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220768

MP Biomedicals Rare Chemical collection