(7Z)-dec-7-en-1-yl acetate

• ChemBase ID: 866343
• Molecular Formular: C12H22O2
• Molecular Mass: 198.30188
• Monoisotopic Mass: 198.16197994
• SMILES: CC/C=C\CCCCCCOC(=O)C
• Canonical SMILES: CC/C=C\CCCCCCOC(=O)C
• InChI: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h4-5H,3,6-11H2,1-2H3/b5-4-
• InChIKey: DEOHUYGDZACDBU-PLNGDYQASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7Z)-dec-7-en-1-yl acetate
• IUPAC Traditional name: (7Z)-dec-7-en-1-yl acetate
• Synonyms: Z-7-DECEN-1-YL ACETATE; (7Z)-7-癸烯-1-醇乙酸酯

Database IDs

• CAS Number: 13857-03-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5519376
• LogD (pH = 7.4): 3.5519376
• Log P: 3.5519376
• Molar Refractivity: 60.009 cm^3
• Polarizability: 23.35703 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true