undecane-1,11-diol

• ChemBase ID: 289661
• Molecular Formular: C11H24O2
• Molecular Mass: 188.30706
• Monoisotopic Mass: 188.17763001
• SMILES: OCCCCCCCCCCCO
• Canonical SMILES: OCCCCCCCCCCCO
• InChI: InChI=1S/C11H24O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
• InChIKey: XSMIOONHPKRREI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecane-1,11-diol
• IUPAC Traditional name: undecane-1,11-diol
• Synonyms: Undecane-1,11-diol

Database IDs

• CAS Number: 765-04-8
• MDL Number: MFCD00041568
• PubChem SID: 180675192
• PubChem CID: 69822

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.480624
• LogD (pH = 7.4): 2.480624
• Log P: 2.480624
• Molar Refractivity: 56.2706 cm^3
• Polarizability: 22.227657 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%