ChemSpider 2D Image | Ethyl 5-[2-({[3-(3,4-dimethylphenyl)adamantan-1-yl]carbonyl}oxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate | C31H39NO5

Ethyl 5-[2-({[3-(3,4-dimethylphenyl)adamantan-1-yl]carbonyl}oxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC31H39NO5
  • Average mass505.645 Da
  • Monoisotopic mass505.282837 Da
  • ChemSpider ID3626769

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[2-[[[3-(3,4-dimethylphenyl)tricyclo[3.3.1.13,7]dec-1-yl]carbonyl]oxy]-1-oxopropyl]-2,4-dimethyl-, ethyl ester [ACD/Index Name]
5-[2-({[3-(3,4-Diméthylphényl)adamantan-1-yl]carbonyl}oxy)propanoyl]-2,4-diméthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[2-({[3-(3,4-dimethylphenyl)adamantan-1-yl]carbonyl}oxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[2-({[3-(3,4-dimethylphenyl)adamantan-1-yl]carbonyl}oxy)propanoyl]-2,4-dimethyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.0±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 210430.50
ACD/KOC (pH 5.5): 224831.27
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 210430.50
ACD/KOC (pH 7.4): 224831.27
Polar Surface Area: 85 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 421.4±3.0 cm3

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