ChemSpider 2D Image | Dimethyl (1R,2R,4S,7R)-1,4-cubanedicarboxylate | C12H12O4

Dimethyl (1R,2R,4S,7R)-1,4-cubanedicarboxylate

  • Molecular FormulaC12H12O4
  • Average mass220.221 Da
  • Monoisotopic mass220.073563 Da
  • ChemSpider ID97494849

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,4S,7R)-1,4-Cubanedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (1R,2R,4S,7R)-1,4-cubanedicarboxylate [ACD/IUPAC Name]
Dimethyl-(1R,2R,4S,7R)-1,4-cubandicarboxylat [German] [ACD/IUPAC Name]
Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid, dimethyl ester, (1R,2R,4S,7R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 270.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 131.3±20.2 °C
Index of Refraction: 1.705
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 57.40
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 57.40
Polar Surface Area: 53 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 82.9±3.0 dyne/cm
Molar Volume: 130.8±3.0 cm3

Click to predict properties on the Chemicalize site


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