2-bromohept-1-ene

• ChemBase ID: 73721
• Molecular Formular: C7H13Br
• Molecular Mass: 177.08212
• Monoisotopic Mass: 176.02006242
• SMILES: BrC(=C)CCCCC
• Canonical SMILES: CCCCCC(=C)Br
• InChI: InChI=1S/C7H13Br/c1-3-4-5-6-7(2)8/h2-6H2,1H3
• InChIKey: LMLBDZMUDSZLFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromohept-1-ene
• IUPAC Traditional name: 2-bromohept-1-ene
• Synonyms: 2-Bromohept-1-ene

Database IDs

• MDL Number: MFCD00671859
• PubChem SID: 162038640
• PubChem CID: 11116593

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5172822
• LogD (pH = 7.4): 3.5172822
• Log P: 3.5172822
• Molar Refractivity: 41.7415 cm^3
• Polarizability: 16.038036 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true