ChemSpider 2D Image | 3-Methoxy-2-(3-methyl-4-oxo-1-penten-2-yl)-5-oxo-2,5-dihydro-2-furanyl acetate | C13H16O6

3-Methoxy-2-(3-methyl-4-oxo-1-penten-2-yl)-5-oxo-2,5-dihydro-2-furanyl acetate

  • Molecular FormulaC13H16O6
  • Average mass268.263 Da
  • Monoisotopic mass268.094696 Da
  • ChemSpider ID31112157

More details:

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

2(5H)-Furanone, 5-(acetyloxy)-4-methoxy-5-(2-methyl-1-methylene-3-oxobutyl)- [ACD/Index Name]
3-Methoxy-2-(3-methyl-4-oxo-1-penten-2-yl)-5-oxo-2,5-dihydro-2-furanyl acetate [ACD/IUPAC Name]
3-Methoxy-2-(3-methyl-4-oxo-1-penten-2-yl)-5-oxo-2,5-dihydro-2-furanyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-méthoxy-2-(3-méthyl-4-oxo-1-pentén-2-yl)-5-oxo-2,5-dihydro-2-furanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 193.6±28.8 °C
Index of Refraction: 1.493
Molar Refractivity: 65.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.87
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.87
Polar Surface Area: 79 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 223.6±5.0 cm3

Click to predict properties on the Chemicalize site


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