ChemSpider 2D Image | 2-[1-({[(2E)-3-Chloro-2-propen-1-yl]oxy}amino)propylidene]-5-[2-(ethylsulfonyl)propyl]-1,3-cyclohexanedione | C17H26ClNO5S

2-[1-({[(2E)-3-Chloro-2-propen-1-yl]oxy}amino)propylidene]-5-[2-(ethylsulfonyl)propyl]-1,3-cyclohexanedione

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID35762190
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3-Cyclohexanedione, 2-[1-[[[(2E)-3-chloro-2-propen-1-yl]oxy]amino]propylidene]-5-[2-(ethylsulfonyl)propyl]- [ACD/Index Name]
2-[1-({[(2E)-3-Chlor-2-propen-1-yl]oxy}amino)propyliden]-5-[2-(ethylsulfonyl)propyl]-1,3-cyclohexandion [German] [ACD/IUPAC Name]
2-[1-({[(2E)-3-Chloro-2-propen-1-yl]oxy}amino)propylidene]-5-[2-(ethylsulfonyl)propyl]-1,3-cyclohexanedione [ACD/IUPAC Name]
2-[1-({[(2E)-3-Chloro-2-propén-1-yl]oxy}amino)propylidène]-5-[2-(éthylsulfonyl)propyl]-1,3-cyclohexanedione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.3±32.9 °C
Index of Refraction: 1.521
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.92
ACD/KOC (pH 5.5): 327.49
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.92
ACD/KOC (pH 7.4): 327.49
Polar Surface Area: 98 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

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