dotriacontan-1-ol

• ChemBase ID: 125155
• Molecular Formular: C32H66O
• Molecular Mass: 466.86584
• Monoisotopic Mass: 466.51136673
• SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C32H66O/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/h33H,2-32H2,1H3
• InChIKey: QOEHNLSDMADWEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dotriacontan-1-ol
• IUPAC Traditional name: dotriacontanol
• Synonyms: 1-Dotriacontanol

Database IDs

• CAS Number: 6624-79-9
• PubChem SID: 162219505
• PubChem CID: 96117
• Chemspider ID: 86761
• Unique Ingredient Identifier: 82J5YYF71H
• Wikipedia Title: 1-Dotriacontanol

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 13.253244
• LogD (pH = 7.4): 13.253244
• Log P: 13.253244
• Molar Refractivity: 150.9629 cm^3
• Polarizability: 60.410194 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false