1-chloro-3,3-dimethylpentane

• ChemBase ID: 284981
• Molecular Formular: C7H15Cl
• Molecular Mass: 134.647
• Monoisotopic Mass: 134.08622816
• SMILES: C(CCCl)(CC)(C)C
• Canonical SMILES: ClCCC(CC)(C)C
• InChI: InChI=1S/C7H15Cl/c1-4-7(2,3)5-6-8/h4-6H2,1-3H3
• InChIKey: WNSWEMWOYMXOIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-3,3-dimethylpentane
• IUPAC Traditional name: 1-chloro-3,3-dimethylpentane
• Synonyms: 1-chloro-3,3-dimethylpentane

Database IDs

• MDL Number: MFCD02258501
• PubChem SID: 180670512
• PubChem CID: 19884395

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1915486
• LogD (pH = 7.4): 3.1915486
• Log P: 3.1915486
• Molar Refractivity: 38.8106 cm^3
• Polarizability: 15.435797 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.85

Product Information

• Purity: 95%