undec-1-en-1-ol

• ChemBase ID: 111534
• Molecular Formular: C11H22O
• Molecular Mass: 170.29178
• Monoisotopic Mass: 170.16706532
• SMILES: CCCCCCCCC/C=C/O
• Canonical SMILES: CCCCCCCCC/C=C/O
• InChI: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h10-12H,2-9H2,1H3
• InChIKey: LEAQUNCACNBDEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-1-en-1-ol
• IUPAC Traditional name: undec-1-en-1-ol
• Synonyms: n-UNDECYLENIC ALCOHOL

Database IDs

• PubChem SID: 162106578
• PubChem CID: 22506525

CALCULATED PROPERTIES

• Acid pKa: 10.892433
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.459579
• LogD (pH = 7.4): 4.459441
• Log P: 4.459581
• Molar Refractivity: 54.435 cm^3
• Polarizability: 21.394817 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219725

MP Biomedicals Rare Chemical collection