ChemSpider 2D Image | 3-Methyl-2-{[(2-methylcyclopentyl)oxy]carbonyl}-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indolium | C25H32NO6

3-Methyl-2-{[(2-methylcyclopentyl)oxy]carbonyl}-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indolium

  • Molecular FormulaC25H32NO6
  • Average mass442.524 Da
  • Monoisotopic mass442.222412 Da
  • ChemSpider ID21471257

  • Charge - Charge

More details:

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

1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-, 2-methylcyclopentyl ester, conjugate acid [ACD/Index Name]
3-Methyl-2-{[(2-methylcyclopentyl)oxy]carbonyl}-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indolium [ACD/IUPAC Name]
3-Methyl-2-{[(2-methylcyclopentyl)oxy]carbonyl}-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indolium [German] [ACD/IUPAC Name]
3-Méthyl-2-{[(2-méthylcyclopentyl)oxy]carbonyl}-4-oxo-6-(3,4,5-triméthoxyphényl)-4,5,6,7-tétrahydro-1H-indolium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 606.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2892.53
ACD/KOC (pH 5.5): 10451.48
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2892.53
ACD/KOC (pH 7.4): 10451.48
Polar Surface Area: 71 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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