2-bromooct-1-ene

• ChemBase ID: 73723
• Molecular Formular: C8H15Br
• Molecular Mass: 191.1087
• Monoisotopic Mass: 190.03571248
• SMILES: BrC(=C)CCCCCC
• Canonical SMILES: CCCCCCC(=C)Br
• InChI: InChI=1S/C8H15Br/c1-3-4-5-6-7-8(2)9/h2-7H2,1H3
• InChIKey: NLKXPBFMZLDRSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromooct-1-ene
• IUPAC Traditional name: 2-bromooct-1-ene
• Synonyms: 2-Bromooct-1-ene

Database IDs

• MDL Number: MFCD00671860
• PubChem SID: 162038642
• PubChem CID: 12389616

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.961851
• LogD (pH = 7.4): 3.961851
• Log P: 3.961851
• Molar Refractivity: 46.3425 cm^3
• Polarizability: 17.860052 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true