ChemSpider 2D Image | (4S,4aS)-7-Hydroxy-1,3,4,4a-tetramethyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yl methylcarbamate | C18H24N2O4

(4S,4aS)-7-Hydroxy-1,3,4,4a-tetramethyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yl methylcarbamate

  • Molecular FormulaC18H24N2O4
  • Average mass332.394 Da
  • Monoisotopic mass332.173615 Da
  • ChemSpider ID34948648

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4S,4aS)-7-Hydroxy-1,3,4,4a-tetramethyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yl methylcarbamate [ACD/IUPAC Name]
(4S,4aS)-7-Hydroxy-1,3,4,4a-tetramethyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yl-methylcarbamat [German] [ACD/IUPAC Name]
2H-Benz[f]indol-2-one, 1,4,4a,5,6,7-hexahydro-7-hydroxy-1,3,4,4a-tetramethyl-6-[[(methylamino)carbonyl]oxy]-, (4S,4aS)- [ACD/Index Name]
Méthylcarbamate de (4S,4aS)-7-hydroxy-1,3,4,4a-tétraméthyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yle [French] [ACD/IUPAC Name]
CP8863

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 319.5±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.15
ACD/KOC (pH 5.5): 142.30
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.15
ACD/KOC (pH 7.4): 142.30
Polar Surface Area: 79 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

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