1,5-dichloropentan-2-one

• ChemBase ID: 242099
• Molecular Formular: C5H8Cl2O
• Molecular Mass: 155.02242
• Monoisotopic Mass: 153.99522024
• SMILES: O=C(CCl)CCCCl
• Canonical SMILES: ClCCCC(=O)CCl
• InChI: InChI=1S/C5H8Cl2O/c6-3-1-2-5(8)4-7/h1-4H2
• InChIKey: OUWVBPFCCNMXTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dichloropentan-2-one
• IUPAC Traditional name: 1,5-dichloropentan-2-one
• Synonyms: 1,5-dichloropentan-2-one

Database IDs

• MDL Number: MFCD00182607
• PubChem SID: 164298009
• PubChem CID: 262978

CALCULATED PROPERTIES

• Acid pKa: 16.94944
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7066413
• LogD (pH = 7.4): 1.7066413
• Log P: 1.7066413
• Molar Refractivity: 35.1556 cm^3
• Polarizability: 13.768839 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.826

Product Information

• Purity: 95%