ChemSpider 2D Image | (6aR,9aR,9bR)-8-Acetoacetyl-9b-hydroxy-2,7,7-trimethyl-6,6a,7,8,9a,9b-hexahydro-1H-isoindolo[4,5,6-cd]indole-1,9(2H)-dione | C20H22N2O5

(6aR,9aR,9bR)-8-Acetoacetyl-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 FormulaC20H22N2O5
  • Average mass370.399 Da
  • Monoisotopic mass370.152863 Da
  • ChemSpider ID35516951

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6aR,9aR,9bR)-8-Acetoacetyl-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)-8-Acetoacetyl-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)-8-Acetoacetyl-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, 8-(1,3-dioxobutyl)-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: 1.4±0.1 g/cm3
Boiling Point: 651.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 347.8±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 106.93
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 106.57
Polar Surface Area: 95 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 271.1±3.0 cm3

Click to predict properties on the Chemicalize site


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