ChemSpider 2D Image | (1R,3E,5S)-3-[2-(Diphenylmethoxy)ethylidene]-8-(4-methylbenzyl)-8-azabicyclo[3.2.1]octane | C30H33NO

(1R,3E,5S)-3-[2-(Diphenylmethoxy)ethylidene]-8-(4-methylbenzyl)-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC30H33NO
  • Average mass423.589 Da
  • Monoisotopic mass423.256226 Da
  • ChemSpider ID28495302
  • 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,3E,5S)-3-[2-(Diphenylmethoxy)ethyliden]-8-(4-methylbenzyl)-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1R,3E,5S)-3-[2-(Diphenylmethoxy)ethylidene]-8-(4-methylbenzyl)-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,3E,5S)-3-[2-(Diphénylméthoxy)éthylidène]-8-(4-méthylbenzyl)-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-[2-(diphenylmethoxy)ethylidene]-8-[(4-methylphenyl)methyl]-, (1R,3E,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 548.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 157.1±31.0 °C
Index of Refraction: 1.637
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 50.91
ACD/KOC (pH 5.5): 77.61
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 289.79
ACD/KOC (pH 7.4): 441.78
Polar Surface Area: 12 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 373.2±3.0 cm3

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