ChemSpider 2D Image | ethanone, 1-[(4aS,5S,7S,8aS)-octahydro-7-methyl-5-[[(4S,6S,8R,9aS)-octahydro-6,8-dimethyl-2H-quinolizin-4-yl]methyl]-1(2H)-quinolinyl]- | C24H42N2O

ethanone, 1-[(4aS,5S,7S,8aS)-octahydro-7-methyl-5-[[(4S,6S,8R,9aS)-octahydro-6,8-dimethyl-2H-quinolizin-4-yl]methyl]-1(2H)-quinolinyl]-

  • Molecular FormulaC24H42N2O
  • Average mass374.603 Da
  • Monoisotopic mass374.329712 Da
  • ChemSpider ID21431226

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

ethanone, 1-[(4aS,5S,7S,8aS)-octahydro-7-methyl-5-[[(4S,6S,8R,9aS)-octahydro-6,8-dimethyl-2H-quinolizin-4-yl]methyl]-1(2H)-quinolinyl]-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 495.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 188.2±13.6 °C
Index of Refraction: 1.535
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 9.15
ACD/KOC (pH 5.5): 22.39
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 15.98
ACD/KOC (pH 7.4): 39.08
Polar Surface Area: 24 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 361.8±5.0 cm3

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