pentadecan-7-ol

• ChemBase ID: 110944
• Molecular Formular: C15H32O
• Molecular Mass: 228.41398
• Monoisotopic Mass: 228.24531564
• SMILES: CCCCCCCCC(O)CCCCCC
• Canonical SMILES: CCCCCCCCC(CCCCCC)O
• InChI: InChI=1S/C15H32O/c1-3-5-7-9-10-12-14-15(16)13-11-8-6-4-2/h15-16H,3-14H2,1-2H3
• InChIKey: DTRBNFACZVMDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentadecan-7-ol
• IUPAC Traditional name: pentadecan-7-ol
• Synonyms: 7-PENTADECANOL

Database IDs

• PubChem SID: 162106450
• PubChem CID: 9856016

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.7455373
• LogD (pH = 7.4): 5.7455373
• Log P: 5.7455373
• Molar Refractivity: 72.4867 cm^3
• Polarizability: 29.014809 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false