ChemSpider 2D Image | (1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl (3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | C19H25NO4

(1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl (3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

  • Molecular FormulaC19H25NO4
  • Average mass331.406 Da
  • Monoisotopic mass331.178345 Da
  • ChemSpider ID57524669

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl (3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
(1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl-(3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
(3S)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de (1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)méthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (3S)- [ACD/Index Name]
1166-47-8 [RN]

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

SP 1103 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 453.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 227.9±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1561.61
ACD/KOC (pH 5.5): 6722.91
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1561.61
ACD/KOC (pH 7.4): 6722.91
Polar Surface Area: 64 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 276.1±5.0 cm3

Click to predict properties on the Chemicalize site


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