ChemSpider 2D Image | (4E)-1-Hexadecyl-4-[hydroxy(phenyl)methylene]-5-(4-methoxyphenyl)-2,3-pyrrolidinedione | C34H47NO4

(4E)-1-Hexadecyl-4-[hydroxy(phenyl)methylene]-5-(4-methoxyphenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC34H47NO4
  • Average mass533.741 Da
  • Monoisotopic mass533.350525 Da
  • ChemSpider ID4749569

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-1-Hexadecyl-4-[hydroxy(phenyl)methylen]-5-(4-methoxyphenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-1-Hexadecyl-4-[hydroxy(phenyl)methylene]-5-(4-methoxyphenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-1-Hexadécyl-4-[hydroxy(phényl)méthylène]-5-(4-méthoxyphényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 1-hexadecyl-4-(hydroxyphenylmethylene)-5-(4-methoxyphenyl)-, (4E)- [ACD/Index Name]
(4E)-1-hexadecyl-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
892627-63-3 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 656.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.6±3.0 kJ/mol
    Flash Point: 351.1±34.3 °C
    Index of Refraction: 1.549
    Molar Refractivity: 158.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 2
    ACD/LogP: 10.94
    ACD/LogD (pH 5.5): 8.60
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 381077.00
    ACD/LogD (pH 7.4): 6.84
    ACD/BCF (pH 7.4): 19633.63
    ACD/KOC (pH 7.4): 6573.71
    Polar Surface Area: 67 Å2
    Polarizability: 62.8±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 498.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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