(7Z)-dodec-7-en-1-ol

• ChemBase ID: 136837
• Molecular Formular: C12H24O
• Molecular Mass: 184.31836
• Monoisotopic Mass: 184.18271539
• SMILES: CCCC/C=C\CCCCCCO
• Canonical SMILES: CCCC/C=C\CCCCCCO
• InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,7-12H2,1H3/b6-5-
• InChIKey: WWDOVTHLTQFGOZ-WAYWQWQTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7Z)-dodec-7-en-1-ol
• IUPAC Traditional name: 7-dodecen-1-ol (Z)
• Synonyms: (Z)-7-DDOL; Z-7-DDOL; cis-7-Dodecen-1-ol; 顺-7-十二烯-1-醇

Database IDs

• CAS Number: 20056-92-2
• EC Number: 243-488-2
• MDL Number: MFCD00009990
• PubChem SID: 162231105
• PubChem CID: 5362794

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

PROPERTIES

Physical Property

• Flash Point: 142 °F; 61 °C

Safety Information

• RTECS: JR5255000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H24O