ChemSpider 2D Image | Methyl {4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}acetate | C13H18O3

Methyl {4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}acetate

  • Molecular FormulaC13H18O3
  • Average mass222.280 Da
  • Monoisotopic mass222.125595 Da
  • ChemSpider ID23332118

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{4-Oxo-5-[(2Z)-2-pentén-1-yl]-2-cyclopentén-1-yl}acétate de méthyle [French] [ACD/IUPAC Name]
2-Cyclopentene-1-acetic acid, 4-oxo-5-[(2Z)-2-penten-1-yl]-, methyl ester [ACD/Index Name]
Methyl {4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}acetate [ACD/IUPAC Name]
Methyl-{4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}acetat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL443868/
methyl {4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}acetate
Methyl 4,5-didehydrojasmonate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 314.4±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 135.1±22.1 °C
Index of Refraction: 1.482
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.34
ACD/KOC (pH 5.5): 268.25
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.34
ACD/KOC (pH 7.4): 268.25
Polar Surface Area: 43 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 216.8±3.0 cm3

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