Found 7 results

Search term: CKSVPIZNXAIFIN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,2R,4S,5S)-7-oxo-3-oxa-6-azatricyclo[3.2.1.0~2,4~]octane-6-carboxylate | C11H15NO4

2-Methyl-2-propanyl (1S,2R,4S,5S)-7-oxo-3-oxa-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate

  • Molecular FormulaC11H15NO4
  • Average mass225.241 Da
  • Monoisotopic mass225.100113 Da
  • ChemSpider ID30988945

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,4S,5S)-7-Oxo-3-oxa-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,2R,4S,5S)-7-oxo-3-oxa-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,2R,4S,5S)-7-oxo-3-oxa-6-azatricyclo[3.2.1.02,4]octan-6-carboxylat [German] [ACD/IUPAC Name]
3-Oxa-6-azatricyclo[3.2.1.02,4]octane-6-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester, (1S,2R,4S,5S)- [ACD/Index 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: 377.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 182.1±25.9 °C
Index of Refraction: 1.548
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 50.42
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 50.42
Polar Surface Area: 59 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 169.8±3.0 cm3

Click to predict properties on the Chemicalize site


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