ChemSpider 2D Image | tert-butyl (3aR,6aS)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate | C11H16N2O4

tert-butyl (3aR,6aS)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate

  • Molecular FormulaC11H16N2O4
  • Average mass240.256 Da
  • Monoisotopic mass240.111008 Da
  • ChemSpider ID25027350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-4,6-Dioxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1251003-99-2 [RN]
2-Methyl-2-propanyl (3aR,6aS)-4,6-dioxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aR,6aS)-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-4,6-dioxo-, 1,1-dimethylethyl ester, (3aR,6aS)- [ACD/Index Name]
tert-butyl (3aR,6aS)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate
(3aR,6aS)-rel-tert-Butyl 4,6-dioxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
4,6-dioxo-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylicacidtert-butylester
Chemistry 7087
cis-4,6-dioxo- hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 408.8±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 201.0±26.8 °C
    Index of Refraction: 1.519
    Molar Refractivity: 57.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.02
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 2.60
    ACD/KOC (pH 5.5): 68.98
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 2.60
    ACD/KOC (pH 7.4): 68.96
    Polar Surface Area: 76 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 45.6±3.0 dyne/cm
    Molar Volume: 190.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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