ChemSpider 2D Image | Dimethyl (1R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0~2,6~]undeca-3,5-diene-4,5-dicarboxylate | C16H22N2O4

Dimethyl (1R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-4,5-dicarboxylate

  • Molecular FormulaC16H22N2O4
  • Average mass306.357 Da
  • Monoisotopic mass306.157959 Da
  • ChemSpider ID30650286

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-1,11,11-Triméthyl-2,3-diazatricyclo[6.2.1.02,6]undéca-3,5-diène-4,5-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
5,8-Methano-4H-pyrazolo[1,5-a]azepine-2,3-dicarboxylic acid, 5,6,7,8-tetrahydro-8,10,10-trimethyl-, dimethyl ester, (8R)- [ACD/Index Name]
Dimethyl (1R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-4,5-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-dien-4,5-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 413.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.0±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 80.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.21
ACD/KOC (pH 5.5): 677.02
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.21
ACD/KOC (pH 7.4): 677.02
Polar Surface Area: 70 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 234.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement