ChemSpider 2D Image | 3-Ethyl 2-(2-methyl-2-propanyl) (3S)-5-oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate | C15H23NO5

3-Ethyl 2-(2-methyl-2-propanyl) (3S)-5-oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate

  • Molecular FormulaC15H23NO5
  • Average mass297.347 Da
  • Monoisotopic mass297.157623 Da
  • ChemSpider ID25070300

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3S)-5-Oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate de 3-éthyle et de 2-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-oxo-, 2-(1,1-dimethylethyl) 3-ethyl ester, (3S)- [ACD/Index Name]
3-Ethyl 2-(2-methyl-2-propanyl) (3S)-5-oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate [ACD/IUPAC Name]
3-Ethyl-2-(2-methyl-2-propanyl)-(3S)-5-oxo-2-azabicyclo[2.2.2]octan-2,3-dicarboxylat [German] [ACD/IUPAC Name]
(1S,3S,4S)-2-tert-butyl 3-ethyl 5-oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate
1272757-27-3 [RN]
2-(tert-butyl) 3-ethyl (1S,3S,4S)-5-oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate
2-O-tert-butyl 3-O-ethyl (3S)-5-oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate
2-tert-butyl 3-ethyl 8-oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate
AM805054
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 396.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.4±27.9 °C
Index of Refraction: 1.503
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.18
ACD/KOC (pH 5.5): 195.87
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.18
ACD/KOC (pH 7.4): 195.87
Polar Surface Area: 73 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 251.8±3.0 cm3

Click to predict properties on the Chemicalize site


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