ChemSpider 2D Image | 6-({[2-({(Z)-[3,5-Bis(2-methyl-2-propanyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}amino)cyclohexyl]amino}methylene)-2,4-bis(2-methyl-2-propanyl)-2,4-cyclohexadien-1-one | C36H54N2O2

6-({[2-({(Z)-[3,5-Bis(2-methyl-2-propanyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}amino)cyclohexyl]amino}methylene)-2,4-bis(2-methyl-2-propanyl)-2,4-cyclohexadien-1-one

  • Molecular FormulaC36H54N2O2
  • Average mass546.826 Da
  • Monoisotopic mass546.418518 Da
  • ChemSpider ID57630850

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4-Cyclohexadien-1-one, 6-[[[2-[[(Z)-[3,5-bis(1,1-dimethylethyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl]amino]cyclohexyl]amino]methylene]-2,4-bis(1,1-dimethylethyl)- [ACD/Index Name]
6-({[2-({(Z)-[3,5-Bis(2-methyl-2-propanyl)-6-oxo-2,4-cyclohexadien-1-yliden]methyl}amino)cyclohexyl]amino}methylen)-2,4-bis(2-methyl-2-propanyl)-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
6-({[2-({(Z)-[3,5-Bis(2-methyl-2-propanyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}amino)cyclohexyl]amino}methylene)-2,4-bis(2-methyl-2-propanyl)-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
6-({[2-({(Z)-[3,5-Bis(2-méthyl-2-propanyl)-6-oxo-2,4-cyclohexadién-1-ylidène]méthyl}amino)cyclohexyl]amino}méthylène)-2,4-bis(2-méthyl-2-propanyl)-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
(R,R)-(-)-N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2- CYCLOHEXANEDIAMINE
135616-40-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 115.3±31.7 °C
Index of Refraction: 1.548
Molar Refractivity: 168.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.21
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 729453.38
ACD/LogD (pH 7.4): 8.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 738860.94
Polar Surface Area: 58 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 530.0±5.0 cm3

Click to predict properties on the Chemicalize site


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