15-bromopentadecan-1-ol

• ChemBase ID: 120368
• Molecular Formular: C15H31BrO
• Molecular Mass: 307.31004
• Monoisotopic Mass: 306.15582761
• SMILES: BrCCCCCCCCCCCCCCCO
• Canonical SMILES: OCCCCCCCCCCCCCCCBr
• InChI: InChI=1S/C15H31BrO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-15H2
• InChIKey: NFKUZUMZRQLYCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 15-bromopentadecan-1-ol
• IUPAC Traditional name: 15-bromopentadecan-1-ol
• Synonyms: 15-bromopentadecan-1-ol; 15-Bromo-pentadecan-1-ol

Database IDs

• CAS Number: 59101-27-8
• PubChem SID: 162214721
• PubChem CID: 543850

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.798986
• LogD (pH = 7.4): 5.798986
• Log P: 5.798986
• Molar Refractivity: 80.7091 cm^3
• Polarizability: 31.560665 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95%