ChemSpider 2D Image | Benzyl 16-[(2,5-dioxo-1-pyrrolidinyl)oxy]-16-oxohexadecanoate | C27H39NO6

Benzyl 16-[(2,5-dioxo-1-pyrrolidinyl)oxy]-16-oxohexadecanoate

  • Molecular FormulaC27H39NO6
  • Average mass473.602 Da
  • Monoisotopic mass473.277740 Da
  • ChemSpider ID58801312

More details:

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

16-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-16-oxohexadécanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl 16-[(2,5-dioxo-1-pyrrolidinyl)oxy]-16-oxohexadecanoate [ACD/IUPAC Name]
Benzyl-16-[(2,5-dioxo-1-pyrrolidinyl)oxy]-16-oxohexadecanoat [German] [ACD/IUPAC Name]
Hexadecanoic acid, 16-[(2,5-dioxo-1-pyrrolidinyl)oxy]-16-oxo-, phenylmethyl ester [ACD/Index Name]
1-Benzyl 16-(2,5-Dioxopyrrolidin-1-Yl) Hexadecanedioate
1-benzyl 2,5-dioxopyrrolidin-1-yl hexadecanedioate
949588-03-8 [RN]
C27H39NO6
MFCD30471804

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 570.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.5±3.0 kJ/mol
    Flash Point: 298.7±27.9 °C
    Index of Refraction: 1.531
    Molar Refractivity: 129.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 20
    #Rule of 5 Violations: 1
    ACD/LogP: 5.74
    ACD/LogD (pH 5.5): 5.61
    ACD/BCF (pH 5.5): 10721.25
    ACD/KOC (pH 5.5): 26695.55
    ACD/LogD (pH 7.4): 5.61
    ACD/BCF (pH 7.4): 10721.25
    ACD/KOC (pH 7.4): 26695.55
    Polar Surface Area: 90 Å2
    Polarizability: 51.5±0.5 10-24cm3
    Surface Tension: 47.8±5.0 dyne/cm
    Molar Volume: 419.6±5.0 cm3

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