ChemSpider 2D Image | Ethyl (4R,5R)-5-[(3Z)-5-ethoxy-5-oxo-3-penten-1-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate | C15H24O6

Ethyl (4R,5R)-5-[(3Z)-5-ethoxy-5-oxo-3-penten-1-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

  • Molecular FormulaC15H24O6
  • Average mass300.348 Da
  • Monoisotopic mass300.157288 Da
  • ChemSpider ID30992555
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R,5R)-5-[(3Z)-5-Éthoxy-5-oxo-3-pentén-1-yl]-2,2-diméthyl-1,3-dioxolane-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1,3-Dioxolane-4-carboxylic acid, 5-[(3Z)-5-ethoxy-5-oxo-3-penten-1-yl]-2,2-dimethyl-, ethyl ester, (4R,5R)- [ACD/Index Name]
Ethyl (4R,5R)-5-[(3Z)-5-ethoxy-5-oxo-3-penten-1-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate [ACD/IUPAC Name]
Ethyl-(4R,5R)-5-[(3Z)-5-ethoxy-5-oxo-3-penten-1-yl]-2,2-dimethyl-1,3-dioxolan-4-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 354.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 151.5±23.8 °C
Index of Refraction: 1.456
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.27
ACD/KOC (pH 5.5): 866.80
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.27
ACD/KOC (pH 7.4): 866.80
Polar Surface Area: 71 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 280.5±3.0 cm3

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