nonacosan-1-ol

• ChemBase ID: 125165
• Molecular Formular: C29H60O
• Molecular Mass: 424.7861
• Monoisotopic Mass: 424.46441654
• SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C29H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30/h30H,2-29H2,1H3
• InChIKey: PKBSGDQYUYBUDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonacosan-1-ol
• IUPAC Traditional name: nonacosanol
• Synonyms: 1-Nonacosanol

Database IDs

• CAS Number: 6624-76-6
• PubChem SID: 162219515
• PubChem CID: 243696
• Chemspider ID: 213080
• Wikipedia Title: 1-Nonacosanol

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 11.9195385
• LogD (pH = 7.4): 11.9195385
• Log P: 11.9195385
• Molar Refractivity: 137.1599 cm^3
• Polarizability: 54.86948 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 27
• Lipinski's Rule of Five: false