methyl deca-2,4-dienoate

• ChemBase ID: 74489
• Molecular Formular: C11H18O2
• Molecular Mass: 182.25942
• Monoisotopic Mass: 182.13067982
• SMILES: O=C(/C=C/C=C/CCCCC)OC
• Canonical SMILES: CCCCC/C=C/C=C/C(=O)OC
• InChI: InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3
• InChIKey: SFHSEXGIVSBRRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl deca-2,4-dienoate
• IUPAC Traditional name: methyl deca-2,4-dienoate
• Synonyms: 2,4-Decadienoic acid methyl ester

Database IDs

• MDL Number: MFCD00036587
• PubChem SID: 162039408
• PubChem CID: 5463485

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6043
• LogD (pH = 7.4): 3.6043
• Log P: 3.6043
• Molar Refractivity: 56.4566 cm^3
• Polarizability: 21.274233 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true