ChemSpider 2D Image | (2R)-2-(2,2-Diphenylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane | C30H34NO3

(2R)-2-(2,2-Diphenylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane

  • Molecular FormulaC30H34NO3
  • Average mass456.595 Da
  • Monoisotopic mass456.253326 Da
  • ChemSpider ID76785647

  • Charge - Charge

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-2-(2,2-Diphenylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
(2R)-2-(2,2-Diphenylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane [ACD/IUPAC Name]
(2R)-2-(2,2-Diphénylacétoxy)-1-(3-phénoxypropyl)-1-azoniabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
1-Azoniabicyclo[2.2.2]octane, 2-[(2,2-diphenylacetyl)oxy]-1-(3-phenoxypropyl)-, (2R)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.37
ACD/KOC (pH 5.5): 172.61
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.37
ACD/KOC (pH 7.4): 172.61
Polar Surface Area: 36 Å2
Polarizability:
Surface Tension:
Molar Volume:

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