ChemSpider 2D Image | 2-Methyl-2-propanyl (3aS,6aS)-4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | C11H18N2O3

2-Methyl-2-propanyl (3aS,6aS)-4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

  • Molecular FormulaC11H18N2O3
  • Average mass226.272 Da
  • Monoisotopic mass226.131744 Da
  • ChemSpider ID32058767
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aS,6aS)-4-Oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3aS,6aS)-4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aS,6aS)-4-oxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester, (3aS,6aS)- [ACD/Index Name]
(3aR,6aR)-rel-tert-Butyl 4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
(3ar,6ar)-tert-butyl 4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1h)-carboxylate
1251003-89-0 [RN]
1932432-12-6 [RN]
cis-4-oxo-Hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
cis-4-oxo-hexahydro-pyrrolo3,4-cpyrrole-2-carboxylic acid tert-butyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 392.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.9±25.9 °C
Index of Refraction: 1.506
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.69
ACD/KOC (pH 5.5): 88.54
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 88.54
Polar Surface Area: 59 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

Click to predict properties on the Chemicalize site






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