pentatriacontanoic acid

• ChemBase ID: 126476
• Molecular Formular: C35H70O2
• Molecular Mass: 522.9291
• Monoisotopic Mass: 522.53758148
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C35H70O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(36)37/h2-34H2,1H3,(H,36,37)
• InChIKey: HVUCKZJUWZBJDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentatriacontanoic acid
• IUPAC Traditional name: ceroplastic acid
• Synonyms: Ceroplastic acid

Database IDs

• PubChem SID: 162220809
• PubChem CID: 5282595
• Chemspider ID: 4445722
• Wikipedia Title: Ceroplastic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 14.047582
• LogD (pH = 7.4): 12.288446
• Log P: 14.703387
• Molar Refractivity: 164.5026 cm^3
• Polarizability: 65.7818 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 33
• Lipinski's Rule of Five: false