13-bromotridecan-1-ol

• ChemBase ID: 120370
• Molecular Formular: C13H27BrO
• Molecular Mass: 279.25688
• Monoisotopic Mass: 278.12452748
• SMILES: BrCCCCCCCCCCCCCO
• Canonical SMILES: OCCCCCCCCCCCCCBr
• InChI: InChI=1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
• InChIKey: FJBCXJNCEVECEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 13-bromotridecan-1-ol
• IUPAC Traditional name: 13-bromotridecan-1-ol
• Synonyms: 13-bromotridecan-1-ol

Database IDs

• PubChem SID: 162214723
• PubChem CID: 1636619

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.909848
• LogD (pH = 7.4): 4.909848
• Log P: 4.909848
• Molar Refractivity: 71.5071 cm^3
• Polarizability: 27.897583 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true