tricosan-7-ol

• ChemBase ID: 112768
• Molecular Formular: C23H48O
• Molecular Mass: 340.62662
• Monoisotopic Mass: 340.37051616
• SMILES: CCCCCCCCCCCCCCCCC(O)CCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCC(CCCCCC)O
• InChI: InChI=1S/C23H48O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-23(24)21-19-8-6-4-2/h23-24H,3-22H2,1-2H3
• InChIKey: CEFUQQPBRBQLRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricosan-7-ol
• IUPAC Traditional name: tricosan-7-ol
• Synonyms: TRICOSANOL-7

Database IDs

• PubChem SID: 162106779
• PubChem CID: 23550229

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 9.302087
• LogD (pH = 7.4): 9.302087
• Log P: 9.302087
• Molar Refractivity: 109.2947 cm^3
• Polarizability: 43.788353 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225719

MP Biomedicals Rare Chemical collection