decane-1,2,10-triol

• ChemBase ID: 78862
• Molecular Formular: C10H22O3
• Molecular Mass: 190.27988
• Monoisotopic Mass: 190.15689456
• SMILES: OCC(CCCCCCCCO)O
• Canonical SMILES: OCCCCCCCCC(CO)O
• InChI: InChI=1S/C10H22O3/c11-8-6-4-2-1-3-5-7-10(13)9-12/h10-13H,1-9H2
• InChIKey: RHINSRUDDXGHLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decane-1,2,10-triol
• IUPAC Traditional name: decane-1,2,10-triol
• Synonyms: 1,2,10-Decanetriol

Database IDs

• CAS Number: 91717-85-0
• MDL Number: MFCD00797600
• PubChem SID: 162043625
• PubChem CID: 2735912

CALCULATED PROPERTIES

• Acid pKa: 14.269168
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.9611517
• LogD (pH = 7.4): 0.96115166
• Log P: 0.9611517
• Molar Refractivity: 53.0311 cm^3
• Polarizability: 21.013796 Å^3
• Polar Surface Area: 60.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White Crystalline Solid

Safety Information

• Storage Condition: -20°C Freezer