ChemSpider 2D Image | (3R,7aS,8R,11aS)-8-Methyl-3-phenyloctahydro[1,3]oxazolo[2,3-j]quinolin-5(6H)-one | C18H23NO2

(3R,7aS,8R,11aS)-8-Methyl-3-phenyloctahydro[1,3]oxazolo[2,3-j]quinolin-5(6H)-one

  • Molecular FormulaC18H23NO2
  • Average mass285.381 Da
  • Monoisotopic mass285.172882 Da
  • ChemSpider ID30659214

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,7aS,8R,11aS)-8-Methyl-3-phenyloctahydro[1,3]oxazolo[2,3-j]chinolin-5(6H)-on [German] [ACD/IUPAC Name]
(3R,7aS,8R,11aS)-8-Méthyl-3-phényloctahydro[1,3]oxazolo[2,3-j]quinoléin-5(6H)-one [French] [ACD/IUPAC Name]
(3R,7aS,8R,11aS)-8-Methyl-3-phenyloctahydro[1,3]oxazolo[2,3-j]quinolin-5(6H)-one [ACD/IUPAC Name]
Oxazolo[2,3-j]quinolin-5(6H)-one, octahydro-8-methyl-3-phenyl-, (3R,7aS,8R,11aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 459.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.4±25.7 °C
Index of Refraction: 1.591
Molar Refractivity: 81.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.04
ACD/KOC (pH 5.5): 1226.89
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.04
ACD/KOC (pH 7.4): 1226.89
Polar Surface Area: 30 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 242.3±5.0 cm3

Click to predict properties on the Chemicalize site


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