tetratriacontanoic acid

• ChemBase ID: 129815
• Molecular Formular: C34H68O2
• Molecular Mass: 508.90252
• Monoisotopic Mass: 508.52193142
• SMILES: O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C34H68O2/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/h2-33H2,1H3,(H,35,36)
• InChIKey: UTGPYHWDXYRYGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetratriacontanoic acid
• IUPAC Traditional name: tetratriacontanoic acid
• Synonyms: Tetratriacontanoic acid

Database IDs

• CAS Number: 506-50-3
• PubChem SID: 162224102
• PubChem CID: 94485
• Chemspider ID: 85266
• Wikipedia Title: Tetratriacontanoic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 13.603013
• LogD (pH = 7.4): 11.843878
• Log P: 14.258819
• Molar Refractivity: 159.9016 cm^3
• Polarizability: 63.935432 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.87 g/cm^3