ChemSpider 2D Image | 6-Ethyl 3-(2-methyl-2-propanyl) (1R,5S,6R)-9-methyl-7-oxo-3,9-diazabicyclo[3.3.1]nonane-3,6-dicarboxylate | C16H26N2O5

6-Ethyl 3-(2-methyl-2-propanyl) (1R,5S,6R)-9-methyl-7-oxo-3,9-diazabicyclo[3.3.1]nonane-3,6-dicarboxylate

  • Molecular FormulaC16H26N2O5
  • Average mass326.388 Da
  • Monoisotopic mass326.184174 Da
  • ChemSpider ID97082553

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5S,6R)-9-Méthyl-7-oxo-3,9-diazabicyclo[3.3.1]nonane-3,6-dicarboxylate de 6-éthyle et de 3-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3,9-Diazabicyclo[3.3.1]nonane-3,6-dicarboxylic acid, 9-methyl-7-oxo-, 3-(1,1-dimethylethyl) 6-ethyl ester, (1R,5S,6R)- [ACD/Index Name]
6-Ethyl 3-(2-methyl-2-propanyl) (1R,5S,6R)-9-methyl-7-oxo-3,9-diazabicyclo[3.3.1]nonane-3,6-dicarboxylate [ACD/IUPAC Name]
6-Ethyl-3-(2-methyl-2-propanyl)-(1R,5S,6R)-9-methyl-7-oxo-3,9-diazabicyclo[3.3.1]nonan-3,6-dicarboxylat [German] [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: 429.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.3±28.7 °C
Index of Refraction: 1.501
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 18.76
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.60
ACD/KOC (pH 7.4): 182.33
Polar Surface Area: 76 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 280.6±3.0 cm3

Click to predict properties on the Chemicalize site


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