undecan-6-ol

• ChemBase ID: 111892
• Molecular Formular: C11H24O
• Molecular Mass: 172.30766
• Monoisotopic Mass: 172.18271539
• SMILES: CCCCCC(O)CCCCC
• Canonical SMILES: CCCCCC(CCCCC)O
• InChI: InChI=1S/C11H24O/c1-3-5-7-9-11(12)10-8-6-4-2/h11-12H,3-10H2,1-2H3
• InChIKey: YBIXBBGRHOUVBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecan-6-ol
• IUPAC Traditional name: 6-undecanol
• Synonyms: UNDECANOL-6

Database IDs

• CAS Number: 23708-56-7
• PubChem SID: 162097130
• PubChem CID: 32045

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9672627
• LogD (pH = 7.4): 3.9672627
• Log P: 3.9672627
• Molar Refractivity: 54.0827 cm^3
• Polarizability: 21.629404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221591

MP Biomedicals Rare Chemical collection