ChemSpider 2D Image | SMCC | C16H18N2O6

SMCC

  • Molecular FormulaC16H18N2O6
  • Average mass334.324 Da
  • Monoisotopic mass334.116486 Da
  • ChemSpider ID21173480

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(trans-4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}cyclohexyl)methyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1-[(trans-4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}cyclohexyl)methyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-[(trans-4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}cyclohexyl)méthyl]-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 1-[[trans-4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]cyclohexyl]methyl]- [ACD/Index Name]
64987-85-5 [RN]
71875-81-5 [RN]
B357P1G1IF
SMCC
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarboxylate
[71875-81-5] [RN]
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 501.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 257.2±27.9 °C
    Index of Refraction: 1.598
    Molar Refractivity: 80.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.39
    ACD/LogD (pH 5.5): 0.33
    ACD/BCF (pH 5.5): 1.04
    ACD/KOC (pH 5.5): 35.92
    ACD/LogD (pH 7.4): 0.33
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 35.92
    Polar Surface Area: 101 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 64.8±5.0 dyne/cm
    Molar Volume: 234.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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