8-chlorooct-1-ene

• ChemBase ID: 86281
• Molecular Formular: C8H15Cl
• Molecular Mass: 146.6577
• Monoisotopic Mass: 146.08622816
• SMILES: ClCCCCCCC=C
• Canonical SMILES: ClCCCCCCC=C
• InChI: InChI=1S/C8H15Cl/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
• InChIKey: LYNCRGYDKRNBAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chlorooct-1-ene
• IUPAC Traditional name: 8-chlorooct-1-ene
• Synonyms: 8-Chlorooct-1-ene 97%

Database IDs

• MDL Number: MFCD00671827
• PubChem SID: 162073397
• PubChem CID: 11344097

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6342006
• LogD (pH = 7.4): 3.6342006
• Log P: 3.6342006
• Molar Refractivity: 43.634 cm^3
• Polarizability: 17.039658 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true