docosane-7,16-diol

• ChemBase ID: 189389
• Molecular Formular: C22H46O2
• Molecular Mass: 342.59944
• Monoisotopic Mass: 342.34978071
• SMILES: OC(CCCCCCCCC(O)CCCCCC)CCCCCC
• Canonical SMILES: CCCCCCC(CCCCCCCCC(CCCCCC)O)O
• InChI: InChI=1S/C22H46O2/c1-3-5-7-13-17-21(23)19-15-11-9-10-12-16-20-22(24)18-14-8-6-4-2/h21-24H,3-20H2,1-2H3
• InChIKey: UJIQVIQCOJRTLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docosane-7,16-diol
• IUPAC Traditional name: docosane-7,16-diol

Database IDs

• PubChem SID: 164245299
• PubChem CID: 3281635

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 7.4707994
• LogD (pH = 7.4): 7.4707994
• Log P: 7.4707994
• Molar Refractivity: 106.3632 cm^3
• Polarizability: 42.520615 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds