1-bromooctadec-9-ene

• ChemBase ID: 111906
• Molecular Formular: C18H35Br
• Molecular Mass: 331.3745
• Monoisotopic Mass: 330.19221312
• SMILES: CCCCCCCC/C=C/CCCCCCCCBr
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCCBr
• InChI: InChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3
• InChIKey: RRQWVJIFKFIUJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromooctadec-9-ene
• IUPAC Traditional name: 1-bromooctadec-9-ene
• Synonyms: ELAIDYL BROMIDE

Database IDs

• PubChem SID: 162106556
• PubChem CID: 6370666

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.207449
• LogD (pH = 7.4): 8.207449
• Log P: 8.207449
• Molar Refractivity: 93.7 cm^3
• Polarizability: 36.185596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05221674

MP Biomedicals Rare Chemical collection