ChemSpider 2D Image | 2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile | C21H25NO

2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile

  • Molecular FormulaC21H25NO
  • Average mass307.429 Da
  • Monoisotopic mass307.193604 Da
  • ChemSpider ID28600224

More details:

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

1246213-27-3 [RN]
2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile
2-[2-(Benzyloxy)-5-(2-methyl-2-propanyl)phenyl]-2-methylpropanenitrile [ACD/IUPAC Name]
2-[2-(Benzyloxy)-5-(2-méthyl-2-propanyl)phényl]-2-méthylpropanenitrile [French] [ACD/IUPAC Name]
2-[2-(Benzyloxy)-5-(2-methyl-2-propanyl)phenyl]-2-methylpropannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 5-(1,1-dimethylethyl)-α,α-dimethyl-2-(phenylmethoxy)- [ACD/Index Name]
2-(2-(benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile???ws202846???
2-(2-(benzyloxy)-5-tert-butylphenyl)-2-methylpropanenitrile
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropanenitrile
2-[2-(Benzyloxy)-5-tert-butylphenyl]-2-methylpropanenitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 430.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.6±3.0 kJ/mol
    Flash Point: 180.3±22.6 °C
    Index of Refraction: 1.538
    Molar Refractivity: 94.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.41
    ACD/LogD (pH 5.5): 5.78
    ACD/BCF (pH 5.5): 14438.45
    ACD/KOC (pH 5.5): 33034.86
    ACD/LogD (pH 7.4): 5.78
    ACD/BCF (pH 7.4): 14438.45
    ACD/KOC (pH 7.4): 33034.86
    Polar Surface Area: 33 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 36.7±3.0 dyne/cm
    Molar Volume: 300.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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