ChemSpider 2D Image | (4aR,8aR)-3,8a-Dimethyl-5-methylene-1-(2-phenylethyl)-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-one | C23H27NO

(4aR,8aR)-3,8a-Dimethyl-5-methylene-1-(2-phenylethyl)-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-one

  • Molecular FormulaC23H27NO
  • Average mass333.467 Da
  • Monoisotopic mass333.209259 Da
  • ChemSpider ID40256578

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aR)-3,8a-Dimethyl-5-methylen-1-(2-phenylethyl)-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-on [German] [ACD/IUPAC Name]
(4aR,8aR)-3,8a-Dimethyl-5-methylene-1-(2-phenylethyl)-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-one [ACD/IUPAC Name]
(4aR,8aR)-3,8a-Diméthyl-5-méthylène-1-(2-phényléthyl)-1,4,4a,5,6,7,8,8a-octahydro-2H-benzo[f]indol-2-one [French] [ACD/IUPAC Name]
2H-Benz[f]indol-2-one, 1,4,4a,5,6,7,8,8a-octahydro-3,8a-dimethyl-5-methylene-1-(2-phenylethyl)-, (4aR,8aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 255.9±21.3 °C
Index of Refraction: 1.602
Molar Refractivity: 102.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5546.76
ACD/KOC (pH 5.5): 16656.17
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5546.76
ACD/KOC (pH 7.4): 16656.17
Polar Surface Area: 20 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 297.4±5.0 cm3

Click to predict properties on the Chemicalize site


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