(5E)-6,10-dimethylundeca-5,9-dien-2-yl acetate

• ChemBase ID: 193264
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: C(=O)(OC(CC/C=C(/CCC=C(C)C)\C)C)C
• Canonical SMILES: C/C(=C\CCC(OC(=O)C)C)/CCC=C(C)C
• InChI: InChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
• InChIKey: BXGLLMNDXKACMT-JLHYYAGUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5E)-6,10-dimethylundeca-5,9-dien-2-yl acetate
• IUPAC Traditional name: (5E)-6,10-dimethylundeca-5,9-dien-2-yl acetate

Database IDs

• PubChem SID: 164249174
• PubChem CID: 5752319

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0933137
• LogD (pH = 7.4): 4.0933137
• Log P: 4.0933137
• Molar Refractivity: 74.1084 cm^3
• Polarizability: 28.65341 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