(4E)-5,9-dimethyldeca-4,8-dien-1-yl 3-methylbutanoate

• ChemBase ID: 183906
• Molecular Formular: C17H30O2
• Molecular Mass: 266.4189
• Monoisotopic Mass: 266.2245802
• SMILES: C(=O)(CC(C)C)OCCC/C=C(/CCC=C(C)C)\C
• Canonical SMILES: CC(CC(=O)OCCC/C=C(/CCC=C(C)C)\C)C
• InChI: InChI=1S/C17H30O2/c1-14(2)9-8-11-16(5)10-6-7-12-19-17(18)13-15(3)4/h9-10,15H,6-8,11-13H2,1-5H3/b16-10+
• InChIKey: BMAXSMNHWNATIB-MHWRWJLKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-5,9-dimethyldeca-4,8-dien-1-yl 3-methylbutanoate
• IUPAC Traditional name: (4E)-5,9-dimethyldeca-4,8-dien-1-yl 3-methylbutanoate

Database IDs

• PubChem SID: 164239816
• PubChem CID: 1771195

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1088624
• LogD (pH = 7.4): 5.1088624
• Log P: 5.1088624
• Molar Refractivity: 83.4661 cm^3
• Polarizability: 32.344456 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds