ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (2S)-4-iodo-1,2-pyrrolidinedicarboxylate | C14H24INO4

Bis(2-methyl-2-propanyl) (2S)-4-iodo-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC14H24INO4
  • Average mass397.249 Da
  • Monoisotopic mass397.074982 Da
  • ChemSpider ID64868593

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-4-Iodo-1,2-pyrrolidinedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-iodo-, bis(1,1-dimethylethyl) ester, (2S)- [ACD/Index Name]
Bis(2-methyl-2-propanyl) (2S)-4-iodo-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(2S)-4-iod-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(2S)-di-tert-butyl 4-iodopyrrolidine-1,2-dicarboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 392.6±42.0 °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: 191.3±27.9 °C
    Index of Refraction: 1.531
    Molar Refractivity: 85.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 3.39
    ACD/BCF (pH 5.5): 222.97
    ACD/KOC (pH 5.5): 1669.09
    ACD/LogD (pH 7.4): 3.39
    ACD/BCF (pH 7.4): 222.97
    ACD/KOC (pH 7.4): 1669.09
    Polar Surface Area: 56 Å2
    Polarizability: 33.8±0.5 10-24cm3
    Surface Tension: 42.2±5.0 dyne/cm
    Molar Volume: 275.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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