1-bromo-2-methylhexadecane

• ChemBase ID: 111823
• Molecular Formular: C17H35Br
• Molecular Mass: 319.3638
• Monoisotopic Mass: 318.19221312
• SMILES: CCCCCCCCCCCCCCC(C)CBr
• Canonical SMILES: CCCCCCCCCCCCCCC(CBr)C
• InChI: InChI=1S/C17H35Br/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18/h17H,3-16H2,1-2H3
• InChIKey: VHNPILDWLZOLCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-methylhexadecane
• IUPAC Traditional name: 1-bromo-2-methylhexadecane
• Synonyms: 2-METHYL HEXADECANE

Database IDs

• CAS Number: 81367-59-1
• PubChem SID: 162096638
• PubChem CID: 10757979

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.045206
• LogD (pH = 7.4): 8.045206
• Log P: 8.045206
• Molar Refractivity: 87.853 cm^3
• Polarizability: 34.589424 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:29

DETAILS

MP Biomedicals - 05221190

MP Biomedicals Rare Chemical collection