ChemSpider 2D Image | (6aR,9aR,9bR)-9b-Hydroxy-2,7,7-trimethyl-6,6a,7,8,9a,9b-hexahydro-1H-isoindolo[4,5,6-cd]indole-1,9(2H)-dione | C16H18N2O3

(6aR,9aR,9bR)-9b-Hydroxy-2,7,7-trimethyl-6,6a,7,8,9a,9b-hexahydro-1H-isoindolo[4,5,6-cd]indole-1,9(2H)-dione

  • Molecular FormulaC16H18N2O3
  • Average mass286.326 Da
  • Monoisotopic mass286.131744 Da
  • ChemSpider ID35516790

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6aR,9aR,9bR)-9b-Hydroxy-2,7,7-trimethyl-6,6a,7,8,9a,9b-hexahydro-1H-isoindolo[4,5,6-cd]indol-1,9(2H)-dion [German] [ACD/IUPAC Name]
(6aR,9aR,9bR)-9b-Hydroxy-2,7,7-trimethyl-6,6a,7,8,9a,9b-hexahydro-1H-isoindolo[4,5,6-cd]indole-1,9(2H)-dione [ACD/IUPAC Name]
(6aR,9aR,9bR)-9b-Hydroxy-2,7,7-triméthyl-6,6a,7,8,9a,9b-hexahydro-1H-isoindolo[4,5,6-cd]indole-1,9(2H)-dione [French] [ACD/IUPAC Name]
1H-Isoindolo[4,5,6-cd]indole-1,9(2H)-dione, 6,6a,7,8,9a,9b-hexahydro-9b-hydroxy-2,7,7-trimethyl-, (6aR,9aR,9bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 620.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.9±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 50.70
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 50.69
Polar Surface Area: 70 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 214.7±3.0 cm3

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