ChemSpider 2D Image | 2-Methoxyethyl 1-{3-[(3s,5s,7s)-adamantan-1-yloxy]propyl}-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate | C30H37NO5

2-Methoxyethyl 1-{3-[(3s,5s,7s)-adamantan-1-yloxy]propyl}-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate

  • Molecular FormulaC30H37NO5
  • Average mass491.618 Da
  • Monoisotopic mass491.267181 Da
  • ChemSpider ID64842938

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-{3-[(3s,5s,7s)-Adamantan-1-yloxy]propyl}-5-hydroxy-2-méthyl-1H-benzo[g]indole-3-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
1H-Benz[g]indole-3-carboxylic acid, 5-hydroxy-2-methyl-1-[3-(tricyclo[3.3.1.13,7]dec-1-yloxy)propyl]-, 2-methoxyethyl ester [ACD/Index Name]
2-Methoxyethyl 1-{3-[(3s,5s,7s)-adamantan-1-yloxy]propyl}-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-1-{3-[(3s,5s,7s)-adamantan-1-yloxy]propyl}-5-hydroxy-2-methyl-1H-benzo[g]indol-3-carboxylat [German] [ACD/IUPAC Name]
2-Methoxyethyl 1-[3-(1-adamantyloxy)propyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
2-methoxyethyl 5-hydroxy-2-methyl-1-{3-[(3R,5S,7s)-adamantan-1-yloxy]propyl}-1H-benzo[g]indole-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 346.5±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17288.67
ACD/KOC (pH 5.5): 37580.01
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17075.85
ACD/KOC (pH 7.4): 37117.41
Polar Surface Area: 70 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 372.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement