ChemSpider 2D Image | (3aR)-3a-Ethyl-6-oxo-1,2,3,3a,4,5,6,7-octahydroindolizino[8,1-ef][1]benzazonine-13-carbaldehyde | C20H22N2O2

(3aR)-3a-Ethyl-6-oxo-1,2,3,3a,4,5,6,7-octahydroindolizino[8,1-ef][1]benzazonine-13-carbaldehyde

  • Molecular FormulaC20H22N2O2
  • Average mass322.401 Da
  • Monoisotopic mass322.168121 Da
  • ChemSpider ID23159764

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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(3aR)-3a-Ethyl-6-oxo-1,2,3,3a,4,5,6,7-octahydroindolizino[8,1-ef][1]benzazonin-13-carbaldehyd [German] [ACD/IUPAC Name]
(3aR)-3a-Ethyl-6-oxo-1,2,3,3a,4,5,6,7-octahydroindolizino[8,1-ef][1]benzazonine-13-carbaldehyde [ACD/IUPAC Name]
(3aR)-3a-Éthyl-6-oxo-1,2,3,3a,4,5,6,7-octahydroindolizino[8,1-ef][1]benzazonine-13-carbaldéhyde [French] [ACD/IUPAC Name]
Indolizino[8,1-ef][1]benzazonine-13-carboxaldehyde, 3a-ethyl-1,2,3,3a,4,5,6,7-octahydro-6-oxo-, (3aR)- [ACD/Index Name]
()-rhazinal
6a-ethyl-9-oxo-(6aR)-4,5,6,6a,7,8,9,10-octahydrobenzo[2,3]azonino[6,5,4-hi]indolizine-2-carbaldehyde
rhazinal

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.2±28.7 °C
Index of Refraction: 1.655
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 661.95
ACD/KOC (pH 5.5): 3637.02
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 661.96
ACD/KOC (pH 7.4): 3637.09
Polar Surface Area: 51 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 255.0±7.0 cm3

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