(9Z)-dodec-9-en-1-yl acetate

• ChemBase ID: 866346
• Molecular Formular: C14H26O2
• Molecular Mass: 226.35504
• Monoisotopic Mass: 226.19328007
• SMILES: CC/C=C\CCCCCCCCOC(=O)C
• Canonical SMILES: CC/C=C\CCCCCCCCOC(=O)C
• InChI: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3/b5-4-
• InChIKey: MFFQOUCMBNXSBK-PLNGDYQASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z)-dodec-9-en-1-yl acetate
• IUPAC Traditional name: 9-dodecen-1-ol acetate (Z)
• Synonyms: Z-9-DODECEN-1-YL ACETATE; (9Z)-9-十二碳烯-1-醇乙酸酯

Database IDs

• CAS Number: 16974-11-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.441075
• LogD (pH = 7.4): 4.441075
• Log P: 4.441075
• Molar Refractivity: 69.211 cm^3
• Polarizability: 27.045694 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true