(4E)-5,9-dimethyldeca-4,8-dien-1-yl acetate

• ChemBase ID: 180768
• Molecular Formular: C14H24O2
• Molecular Mass: 224.33916
• Monoisotopic Mass: 224.17763001
• SMILES: C(=O)(OCCC/C=C(/CCC=C(C)C)\C)C
• Canonical SMILES: C/C(=C\CCCOC(=O)C)/CCC=C(C)C
• InChI: InChI=1S/C14H24O2/c1-12(2)8-7-10-13(3)9-5-6-11-16-14(4)15/h8-9H,5-7,10-11H2,1-4H3/b13-9+
• InChIKey: PLVUZLFGBFWHDU-UKTHLTGXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-5,9-dimethyldeca-4,8-dien-1-yl acetate
• IUPAC Traditional name: (4E)-5,9-dimethyldeca-4,8-dien-1-yl acetate

Database IDs

• PubChem SID: 164236678
• PubChem CID: 1747601

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6767385
• LogD (pH = 7.4): 3.6767385
• Log P: 3.6767385
• Molar Refractivity: 69.6896 cm^3
• Polarizability: 26.80818 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds