1,5-dichloro-3-methylpentane

• ChemBase ID: 108210
• Molecular Formular: C6H12Cl2
• Molecular Mass: 155.06548
• Monoisotopic Mass: 154.03160574
• SMILES: CC(CCCl)CCCl
• Canonical SMILES: ClCCC(CCCl)C
• InChI: InChI=1S/C6H12Cl2/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3
• InChIKey: ITPYJYKCTJIIJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dichloro-3-methylpentane
• IUPAC Traditional name: 1,5-dichloro-3-methylpentane
• Synonyms: 3-METHYL-1,5-DICHLOROPENTANE

Database IDs

• CAS Number: 56702-89-7
• PubChem SID: 162093984
• PubChem CID: 143405

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8094149
• LogD (pH = 7.4): 2.8094149
• Log P: 2.8094149
• Molar Refractivity: 39.3152 cm^3
• Polarizability: 15.443751 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206484

MP Biomedicals Rare Chemical collection