1,16-dibromohexadecane

• ChemBase ID: 111788
• Molecular Formular: C16H32Br2
• Molecular Mass: 384.23328
• Monoisotopic Mass: 382.08707502
• SMILES: BrCCCCCCCCCCCCCCCCBr
• Canonical SMILES: BrCCCCCCCCCCCCCCCCBr
• InChI: InChI=1S/C16H32Br2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h1-16H2
• InChIKey: OTFBUFWEFKVFFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,16-dibromohexadecane
• IUPAC Traditional name: 1,16-dibromohexadecane
• Synonyms: 1,16-DIBROMOHEXADECANE

Database IDs

• CAS Number: 45223-18-5
• PubChem SID: 162096664
• PubChem CID: 521177

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7836413
• LogD (pH = 7.4): 7.7836413
• Log P: 7.7836413
• Molar Refractivity: 91.3446 cm^3
• Polarizability: 35.48053 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false