ChemSpider 2D Image | Dimethyl (3aS,6aR)-2,2-dimethyl-4-oxofuro[3,4-d][1,3]dioxole-3a,6a(4H,6H)-dicarboxylate | C11H14O8

Dimethyl (3aS,6aR)-2,2-dimethyl-4-oxofuro[3,4-d][1,3]dioxole-3a,6a(4H,6H)-dicarboxylate

  • Molecular FormulaC11H14O8
  • Average mass274.224 Da
  • Monoisotopic mass274.068878 Da
  • ChemSpider ID21200148

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aR)-2,2-Diméthyl-4-oxofuro[3,4-d][1,3]dioxole-3a,6a(4H,6H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (3aS,6aR)-2,2-dimethyl-4-oxofuro[3,4-d][1,3]dioxole-3a,6a(4H,6H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(3aS,6aR)-2,2-dimethyl-4-oxofuro[3,4-d][1,3]dioxol-3a,6a(4H,6H)-dicarboxylat [German] [ACD/IUPAC Name]
Furo[3,4-d]-1,3-dioxole-3a,6a(4H,6H)-dicarboxylic acid, 2,2-dimethyl-4-oxo-, dimethyl ester, (3aS,6aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 359.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 159.0±27.9 °C
Index of Refraction: 1.495
Molar Refractivity: 57.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.29
ACD/KOC (pH 5.5): 129.84
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.29
ACD/KOC (pH 7.4): 129.84
Polar Surface Area: 97 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 195.7±3.0 cm3

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