ChemSpider 2D Image | Diethyl 3-[(2Z)-2-hydroxy-4-oxo-2-penten-3-yl]-2-methyl-1H-indene-1,1-dicarboxylate | C21H24O6

Diethyl 3-[(2Z)-2-hydroxy-4-oxo-2-penten-3-yl]-2-methyl-1H-indene-1,1-dicarboxylate

  • Molecular FormulaC21H24O6
  • Average mass372.412 Da
  • Monoisotopic mass372.157288 Da
  • ChemSpider ID21199646

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indene-1,1-dicarboxylic acid, 3-[(1Z)-1-acetyl-2-hydroxy-1-propen-1-yl]-2-methyl-, diethyl ester [ACD/Index Name]
3-[(2Z)-2-Hydroxy-4-oxo-2-pentén-3-yl]-2-méthyl-1H-indène-1,1-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 3-[(2Z)-2-hydroxy-4-oxo-2-penten-3-yl]-2-methyl-1H-indene-1,1-dicarboxylate [ACD/IUPAC Name]
Diethyl-3-[(2Z)-2-hydroxy-4-oxo-2-penten-3-yl]-2-methyl-1H-inden-1,1-dicarboxylat [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: 502.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 170.9±23.6 °C
Index of Refraction: 1.555
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 774.51
ACD/KOC (pH 5.5): 4068.95
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 735.65
ACD/KOC (pH 7.4): 3864.82
Polar Surface Area: 90 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 306.0±3.0 cm3

Click to predict properties on the Chemicalize site


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