nonacosan-10-ol

• ChemBase ID: 183441
• Molecular Formular: C29H60O
• Molecular Mass: 424.7861
• Monoisotopic Mass: 424.46441654
• SMILES: OC(CCCCCCCCC)CCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
• InChI: InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3
• InChIKey: CPGCVOVWHCWVTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonacosan-10-ol
• IUPAC Traditional name: nonacosan-10-ol

Database IDs

• PubChem SID: 164239351
• PubChem CID: 25240035

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 11.969499
• LogD (pH = 7.4): 11.969499
• Log P: 11.969499
• Molar Refractivity: 136.9007 cm^3
• Polarizability: 54.86948 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds