ChemSpider 2D Image | 4,4'-[1,4-Butanediylbis(iminomethylylidene)]bis[2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-one] | C34H52N2O2

4,4'-[1,4-Butanediylbis(iminomethylylidene)]bis[2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-one]

  • Molecular FormulaC34H52N2O2
  • Average mass520.789 Da
  • Monoisotopic mass520.402893 Da
  • ChemSpider ID4631854

More details:

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

2,5-Cyclohexadien-1-one, 4,4'-[1,4-butanediylbis(iminomethylidyne)]bis[2,6-bis(1,1-dimethylethyl)- [ACD/Index Name]
4,4'-[1,4-Butandiylbis(iminomethylyliden)]bis[2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-on] [German] [ACD/IUPAC Name]
4,4'-[1,4-Butanediylbis(iminomethylylidene)]bis[2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-one] [ACD/IUPAC Name]
4,4'-[1,4-Butanediylbis(iminométhylylidène)]bis[2,6-bis(2-méthyl-2-propanyl)-2,5-cyclohexadién-1-one] [French] [ACD/IUPAC Name]

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

CBDivE_006440 [DBID]
ZINC02963959 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 629.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 117.1±31.7 °C
Index of Refraction: 1.576
Molar Refractivity: 163.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 66801.94
ACD/KOC (pH 5.5): 85740.51
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109535.06
ACD/KOC (pH 7.4): 140588.63
Polar Surface Area: 58 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 492.6±3.0 cm3

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