ChemSpider 2D Image | Methyl (2S)-3-methyl-2-{[(2E)-3-phenyl-2-propenoyl]oxy}butanoate | C15H18O4

Methyl (2S)-3-methyl-2-{[(2E)-3-phenyl-2-propenoyl]oxy}butanoate

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID82965440

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Méthyl-2-{[(2E)-3-phényl-2-propenoyl]oxy}butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-2-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (2S)- [ACD/Index Name]
Methyl (2S)-3-methyl-2-{[(2E)-3-phenyl-2-propenoyl]oxy}butanoate [ACD/IUPAC Name]
Methyl-(2S)-3-methyl-2-{[(2E)-3-phenyl-2-propenoyl]oxy}butanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 364.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 177.3±21.6 °C
Index of Refraction: 1.531
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.25
ACD/KOC (pH 5.5): 1450.44
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.25
ACD/KOC (pH 7.4): 1450.44
Polar Surface Area: 53 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 237.2±3.0 cm3

Click to predict properties on the Chemicalize site


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