ChemSpider 2D Image | 2-{(E)-[(2E)-3-{[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]amino}-2-nitro-2-propen-1-ylidene]amino}-4,6-bis(2-methyl-2-propanyl)phenol | C31H45N3O4

2-{(E)-[(2E)-3-{[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]amino}-2-nitro-2-propen-1-ylidene]amino}-4,6-bis(2-methyl-2-propanyl)phenol

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID34966773

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(E)-[(2E)-3-{[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]amino}-2-nitro-2-propen-1-yliden]amino}-4,6-bis(2-methyl-2-propanyl)phenol [German] [ACD/IUPAC Name]
2-{(E)-[(2E)-3-{[2-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]amino}-2-nitro-2-propen-1-ylidene]amino}-4,6-bis(2-methyl-2-propanyl)phenol [ACD/IUPAC Name]
2-{(E)-[(2E)-3-{[2-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]amino}-2-nitro-2-propén-1-ylidène]amino}-4,6-bis(2-méthyl-2-propanyl)phénol [French] [ACD/IUPAC Name]
Phenol, 2-[[(1E,2E)-3-[[3,5-bis(1,1-dimethylethyl)-2-hydroxyphenyl]amino]-2-nitro-2-propen-1-ylidene]amino]-4,6-bis(1,1-dimethylethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 303.0±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 153.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 7.85
ACD/BCF (pH 5.5): 544573.88
ACD/KOC (pH 5.5): 441076.66
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 556808.81
ACD/KOC (pH 7.4): 450986.31
Polar Surface Area: 111 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 35.6±7.0 dyne/cm
Molar Volume: 494.3±7.0 cm3

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