ChemSpider 2D Image | (4S,4aS)-7-Methoxy-1,3,4,4a-tetramethyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yl dimethylcarbamate | C20H28N2O4

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

  • Molecular FormulaC20H28N2O4
  • Average mass360.447 Da
  • Monoisotopic mass360.204895 Da
  • ChemSpider ID34948647

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4S,4aS)-7-Methoxy-1,3,4,4a-tetramethyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yl dimethylcarbamate [ACD/IUPAC Name]
(4S,4aS)-7-Methoxy-1,3,4,4a-tetramethyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yl-dimethylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N,N-dimethyl-, (4S,4aS)-2,4,4a,5,6,7-hexahydro-7-methoxy-1,3,4,4a-tetramethyl-2-oxo-1H-benz[f]indol-6-yl ester [ACD/Index Name]
Diméthylcarbamate de (4S,4aS)-7-méthoxy-1,3,4,4a-tétraméthyl-2-oxo-2,4,4a,5,6,7-hexahydro-1H-benzo[f]indol-6-yle [French] [ACD/IUPAC Name]
CP8816

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.4±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.75
ACD/KOC (pH 5.5): 468.11
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.75
ACD/KOC (pH 7.4): 468.11
Polar Surface Area: 59 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 301.6±5.0 cm3

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