1,2-dichloropentane

• ChemBase ID: 241403
• Molecular Formular: C5H10Cl2
• Molecular Mass: 141.0389
• Monoisotopic Mass: 140.01595568
• SMILES: ClC(CCl)CCC
• Canonical SMILES: CCCC(CCl)Cl
• InChI: InChI=1S/C5H10Cl2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3
• InChIKey: PPLBPDUKNRCHGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloropentane
• IUPAC Traditional name: pentane, 1,2-dichloro-
• Synonyms: 1,2-dichloropentane

Database IDs

• MDL Number: MFCD00039349
• PubChem SID: 164297313
• PubChem CID: 15481

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8841708
• LogD (pH = 7.4): 2.8841708
• Log P: 2.8841708
• Molar Refractivity: 34.1994 cm^3
• Polarizability: 13.617655 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.045

Product Information

• Purity: 95%