ChemSpider 2D Image | (S)-tert-Butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate | C11H18N2O4

(S)-tert-Butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate

  • Molecular FormulaC11H18N2O4
  • Average mass242.272 Da
  • Monoisotopic mass242.126663 Da
  • ChemSpider ID32792252

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8aS)-3-Oxotétrahydro[1,3]oxazolo[3,4-a]pyrazine-7(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate
2-Methyl-2-propanyl (8aS)-3-oxotetrahydro[1,3]oxazolo[3,4-a]pyrazine-7(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(8aS)-3-oxotetrahydro[1,3]oxazolo[3,4-a]pyrazin-7(1H)-carboxylat [German] [ACD/IUPAC Name]
3H-Oxazolo[3,4-a]pyrazine-7(1H)-carboxylic acid, tetrahydro-3-oxo-, 1,1-dimethylethyl ester, (8aS)- [ACD/Index Name]
958635-18-2 [RN]
(s)-tert-butyl 3-oxotetrahydro-1h-oxazolo[3,4-a]pyrazine-7(3h)-carboxylate(wxc00810)
MFCD17676345
tert-butyl (8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylate
tert-butyl (8aS)-3-oxo-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylate
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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: 411.5±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 202.7±28.4 °C
    Index of Refraction: 1.536
    Molar Refractivity: 60.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): 1.11
    ACD/BCF (pH 5.5): 4.11
    ACD/KOC (pH 5.5): 95.73
    ACD/LogD (pH 7.4): 1.11
    ACD/BCF (pH 7.4): 4.11
    ACD/KOC (pH 7.4): 95.73
    Polar Surface Area: 59 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 47.9±5.0 dyne/cm
    Molar Volume: 193.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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