8-chloro-2-methyloct-1-ene

• ChemBase ID: 86371
• Molecular Formular: C9H17Cl
• Molecular Mass: 160.68428
• Monoisotopic Mass: 160.10187822
• SMILES: ClCCCCCCC(=C)C
• Canonical SMILES: ClCCCCCCC(=C)C
• InChI: InChI=1S/C9H17Cl/c1-9(2)7-5-3-4-6-8-10/h1,3-8H2,2H3
• InChIKey: WPPNRBVXACSCEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-methyloct-1-ene
• IUPAC Traditional name: 8-chloro-2-methyloct-1-ene
• Synonyms: 8-Chloro-2-methyloct-1-ene 95%

Database IDs

• MDL Number: MFCD00671836
• PubChem SID: 162073487
• PubChem CID: 24721692

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8775618
• LogD (pH = 7.4): 3.8775618
• Log P: 3.8775618
• Molar Refractivity: 47.916 cm^3
• Polarizability: 18.884077 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true