ChemSpider 2D Image | 2-Methyl-2-propanyl (3aR,6aR)-1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate | C18H26N2O2

2-Methyl-2-propanyl (3aR,6aR)-1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

  • Molecular FormulaC18H26N2O2
  • Average mass302.411 Da
  • Monoisotopic mass302.199432 Da
  • ChemSpider ID48064074

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aR)-1-Benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3aR,6aR)-1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aR,6aR)-1-benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-1-(phenylmethyl)-, 1,1-dimethylethyl ester, (3aR,6aR)- [ACD/Index Name]
132414-80-3 [RN]
1932266-11-9 [RN]
5-boc-1-benzyl-hexahydropyrrolo[3,4-b]pyrrole
cis-tert-butyl 1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1h)-carboxylate(wx110930)
MFCD09953041 [MDL number]
MFCD28390340
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 393.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.3±3.0 kJ/mol
    Flash Point: 191.7±23.2 °C
    Index of Refraction: 1.555
    Molar Refractivity: 86.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 0.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.97
    ACD/LogD (pH 7.4): 1.91
    ACD/BCF (pH 7.4): 7.55
    ACD/KOC (pH 7.4): 58.44
    Polar Surface Area: 33 Å2
    Polarizability: 34.4±0.5 10-24cm3
    Surface Tension: 43.8±3.0 dyne/cm
    Molar Volume: 270.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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