(8Z)-dodec-8-en-1-ol

• ChemBase ID: 866354
• Molecular Formular: C12H24O
• Molecular Mass: 184.31836
• Monoisotopic Mass: 184.18271539
• SMILES: CCC/C=C\CCCCCCCO
• Canonical SMILES: CCC/C=C\CCCCCCCO
• InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-5,13H,2-3,6-12H2,1H3/b5-4-
• InChIKey: YEQONIQGGSENJQ-PLNGDYQASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8Z)-dodec-8-en-1-ol
• IUPAC Traditional name: dodecan-8Z-en-1-ol
• Synonyms: Z-8-DODECEN-1-OL; (Z)-8-十二烯-1-醇

Database IDs

• CAS Number: 40642-40-8

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9999497
• LogD (pH = 7.4): 3.9999497
• Log P: 3.9999497
• Molar Refractivity: 60.0595 cm^3
• Polarizability: 23.241335 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true