ChemSpider 2D Image | Ethyl 5-[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate | C28H39NO6

Ethyl 5-[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC28H39NO6
  • Average mass485.612 Da
  • Monoisotopic mass485.277740 Da
  • ChemSpider ID22451901

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]acetyl]-2,4-dimethyl-, ethyl ester [ACD/Index Name]
5-[2-({3-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]propanoyl}oxy)acétyl]-2,4-diméthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)acetyl]-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: 1.1±0.1 g/cm3
Boiling Point: 601.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 317.4±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 87691.29
ACD/KOC (pH 5.5): 120156.61
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 87690.13
ACD/KOC (pH 7.4): 120155.03
Polar Surface Area: 106 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 431.7±3.0 cm3

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