1,14-dibromotetradecane

• ChemBase ID: 75052
• Molecular Formular: C14H28Br2
• Molecular Mass: 356.18012
• Monoisotopic Mass: 354.0557749
• SMILES: BrCCCCCCCCCCCCCCBr
• Canonical SMILES: BrCCCCCCCCCCCCCCBr
• InChI: InChI=1S/C14H28Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2
• InChIKey: SDENLXLNLFKRAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,14-dibromotetradecane
• IUPAC Traditional name: tetradecane, 1,14-dibromo-
• Synonyms: Tetradecamethylene dibromide; 1,14-Dibromotetradecane

Database IDs

• CAS Number: 37688-96-3
• MDL Number: MFCD00045049
• PubChem SID: 162039970
• PubChem CID: 169955

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.894504
• LogD (pH = 7.4): 6.894504
• Log P: 6.894504
• Molar Refractivity: 82.1426 cm^3
• Polarizability: 31.843369 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant