ChemSpider 2D Image | 2-Methyl-2-propanyl (3E)-3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)-2-oxo-1-pyrrolidinecarboxylate | C21H27NO4

2-Methyl-2-propanyl (3E)-3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)-2-oxo-1-pyrrolidinecarboxylate

  • Molecular FormulaC21H27NO4
  • Average mass357.443 Da
  • Monoisotopic mass357.194000 Da
  • ChemSpider ID30659465

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-(5-Méthoxy-2,2-diméthyl-2,3-dihydro-1H-indén-1-ylidène)-2-oxo-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-(2,3-dihydro-5-methoxy-2,2-dimethyl-1H-inden-1-ylidene)-2-oxo-, 1,1-dimethylethyl ester, (3E)- [ACD/Index Name]
2-Methyl-2-propanyl (3E)-3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)-2-oxo-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3E)-3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-yliden)-2-oxo-1-pyrrolidincarboxylat [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: 459.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.9±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1483.44
ACD/KOC (pH 5.5): 6480.27
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1483.44
ACD/KOC (pH 7.4): 6480.27
Polar Surface Area: 56 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

Click to predict properties on the Chemicalize site


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