ChemSpider 2D Image | Dimethyl 4,4'-(1,2-ethanediyl)bis(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undecane-1-carboxylate) | C26H32N2O8

Dimethyl 4,4'-(1,2-ethanediyl)bis(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecane-1-carboxylate)

  • Molecular FormulaC26H32N2O8
  • Average mass500.541 Da
  • Monoisotopic mass500.215851 Da
  • ChemSpider ID4153163

More details:

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

4,4'-(1,2-Éthanediyl)bis(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undécane-1-carboxylate) de diméthyle [French] [ACD/IUPAC Name]
4,7-Ethano-4H-isoindole-4-carboxylic acid, 2,2'-(1,2-ethanediyl)bis[octahydro-1,3-dioxo-, dimethyl ester [ACD/Index Name]
Dimethyl 4,4'-(1,2-ethanediyl)bis(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecane-1-carboxylate) [ACD/IUPAC Name]
Dimethyl-4,4'-(1,2-ethandiyl)bis(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecan-1-carboxylat) [German] [ACD/IUPAC 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: 680.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.5±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.84
ACD/KOC (pH 5.5): 228.21
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.84
ACD/KOC (pH 7.4): 228.21
Polar Surface Area: 127 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 360.8±3.0 cm3

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