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Search term: PACWRNWHEKCRIU (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 5,5'-methylenebis[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate] | C33H46N2O12

Bis(2-methyl-2-propanyl) 5,5'-methylenebis[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate]

  • Molecular FormulaC33H46N2O12
  • Average mass662.724 Da
  • Monoisotopic mass662.305054 Da
  • ChemSpider ID8874897

More details:






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

1H-Pyrrole-3-propanoic acid, 2,2'-methylenebis[5-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, dimethyl ester [ACD/Index Name]
5,5'-Méthylènebis[3-(2-méthoxy-2-oxoéthyl)-4-(3-méthoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate] de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 5,5'-methylenebis[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-5,5'-methylenbis[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-carboxylat] [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 168.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3413.76
ACD/KOC (pH 5.5): 11767.45
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3413.77
ACD/KOC (pH 7.4): 11767.49
Polar Surface Area: 189 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 544.6±3.0 cm3

Click to predict properties on the Chemicalize site






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