ChemSpider 2D Image | (R,R)-Jacobsen's ligand | C36H54N2O2

(R,R)-Jacobsen's ligand

  • Molecular FormulaC36H54N2O2
  • Average mass546.826 Da
  • Monoisotopic mass546.418518 Da
  • ChemSpider ID16737283

  • 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

(1R,2R)-N,N′-bis-[3,5-di-tert-butyl-salicylidene]-1,2-cyclohexanediamine
(R,R)-(-)-N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINE
(R,R)-Jacobsen's ligand
135616-40-9 [RN]
2,2'-{(1R,2R)-1,2-Cyclohexandiylbis[nitrilo(E)methylyliden]}bis[4,6-bis(2-methyl-2-propanyl)phenol] [German] [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis[4,6-bis(2-methyl-2-propanyl)phenol] [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)méthylylidène]}bis[4,6-bis(2-méthyl-2-propanyl)phénol] [French] [ACD/IUPAC Name]
2,2'-{(1R,2R)-Cyclohexane-1,2-diylbis[nitrilo(E)methylylidene]}bis(4,6-di-tert-butylphenol)
MFCD00191800 [MDL number]
Phenol, 2,2'-[(1R,2R)-1,2-cyclohexanediylbis[nitrilo(E)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)- [ACD/Index Name]
More...

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

5464823 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 421.6±20.8 °C
Index of Refraction: 1.536
Molar Refractivity: 168.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.18
ACD/LogD (pH 5.5): 8.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 615712.13
ACD/LogD (pH 7.4): 9.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4320038.00
Polar Surface Area: 65 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 33.4±7.0 dyne/cm
Molar Volume: 540.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement