ChemSpider 2D Image | MFCD03931112 | C30H43N3O4

MFCD03931112

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID3415072

More details:

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

1H-Pyrrole-2-carboxylic acid, 5,5'-[(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[3,4-dimethyl-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
5,5'-[(3,4-Diméthyl-1H-pyrrole-2,5-diyl)diméthylène]bis(3,4-diméthyl-1H-pyrrole-2-carboxylate) de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 5,5'-[(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis(3,4-dimethyl-1H-pyrrole-2-carboxylate) [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-5,5'-[(3,4-dimethyl-1H-pyrrol-2,5-diyl)dimethylen]bis(3,4-dimethyl-1H-pyrrol-2-carboxylat) [German] [ACD/IUPAC Name]
MFCD03931112
tert-butyl 5-[(5-{[5-(tert-butoxycarbonyl)-3,4-dimethyl-1H-pyrrol-2-yl]methyl}-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 657.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 221472.72
ACD/KOC (pH 5.5): 231742.91
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 226397.31
ACD/KOC (pH 7.4): 236895.88
Polar Surface Area: 100 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 455.8±3.0 cm3

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