ChemSpider 2D Image | 2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis[6-(2-methyl-2-propanyl)-4-nitrophenol] | C28H36N4O6

2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis[6-(2-methyl-2-propanyl)-4-nitrophenol]

  • Molecular FormulaC28H36N4O6
  • Average mass524.609 Da
  • Monoisotopic mass524.263489 Da
  • ChemSpider ID18345548

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-{(1R,2R)-1,2-Cyclohexandiylbis[nitrilo(E)methylyliden]}bis[6-(2-methyl-2-propanyl)-4-nitrophenol] [German] [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis[6-(2-methyl-2-propanyl)-4-nitrophenol] [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)méthylylidène]}bis[6-(2-méthyl-2-propanyl)-4-nitrophénol] [French] [ACD/IUPAC Name]
Phenol, 2,2'-[(1R,2R)-1,2-cyclohexanediylbis[nitrilo(E)methylidyne]]bis[6-(1,1-dimethylethyl)-4-nitro- [ACD/Index Name]
1470070-14-4 [RN]
2-tert-butyl-6-({[2-({3-tert-butyl-2-hydroxy-5-nitrobenzylidene}amino)cyclohexyl]imino}methyl)-4-nitrophenol
6,6'-((1E,1'E)-((1R,2R)-cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-nitrophenol)

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 653.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.7±3.0 kJ/mol
    Flash Point: 349.0±31.5 °C
    Index of Refraction: 1.601
    Molar Refractivity: 143.0±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 8.34
    ACD/LogD (pH 5.5): 6.94
    ACD/BCF (pH 5.5): 83095.43
    ACD/KOC (pH 5.5): 82752.73
    ACD/LogD (pH 7.4): 6.95
    ACD/BCF (pH 7.4): 86335.08
    ACD/KOC (pH 7.4): 85979.02
    Polar Surface Area: 157 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 47.8±7.0 dyne/cm
    Molar Volume: 417.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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