ChemSpider 2D Image | 2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis(6-methoxyphenol) | C22H26N2O4

2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis(6-methoxyphenol)

  • Molecular FormulaC22H26N2O4
  • Average mass382.453 Da
  • Monoisotopic mass382.189270 Da
  • ChemSpider ID21181554

  • 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-methoxyphenol) [German] [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis(6-methoxyphenol) [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)méthylylidène]}bis(6-méthoxyphénol) [French] [ACD/IUPAC Name]
Phenol, 2,2'-[(1R,2R)-1,2-cyclohexanediylbis[nitrilo(E)methylidyne]]bis[6-methoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 295.8±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 111.55
ACD/KOC (pH 5.5): 658.54
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 171.08
ACD/KOC (pH 7.4): 1009.98
Polar Surface Area: 84 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 316.3±7.0 cm3

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