ethyl non-8-enoate

• ChemBase ID: 73685
• Molecular Formular: C11H20O2
• Molecular Mass: 184.2753
• Monoisotopic Mass: 184.14632988
• SMILES: O=C(CCCCCCC=C)OCC
• Canonical SMILES: C=CCCCCCCC(=O)OCC
• InChI: InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3H,1,4-10H2,2H3
• InChIKey: SOSSRQZGHXOQQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl non-8-enoate
• IUPAC Traditional name: ethyl non-8-enoate
• Synonyms: Ethyl non-8-enoate 97%

Database IDs

• MDL Number: MFCD00671847
• PubChem SID: 162038604
• PubChem CID: 37085

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.343316
• LogD (pH = 7.4): 3.343316
• Log P: 3.343316
• Molar Refractivity: 54.4384 cm^3
• Polarizability: 21.513336 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable