ChemSpider 2D Image | 2-[(1E)-N-{[(2E)-3-Chlor-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-cyclohexen-1-on | C17H26ClNO5S

2-[(1E)-N-{[(2E)-3-Chlor-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-cyclohexen-1-on

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID68021095

More details:

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

2-[(1E)-N-{[(2E)-3-Chlor-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-cyclohexen-1-on [ACD/IUPAC Name]
2-[(1E)-N-{[(2E)-3-Chlor-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-cyclohexen-1-one [ACD/IUPAC Name]
2-[(1E)-N-{[(2E)-3-Chloro-2-propén-1-yl]oxy}propanimidoyl]-5-[2-(éthylsulfonyl)propyl]-3-hydroxy-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-cyclohexen-1-one, 2-[(1E)-1-[[[(2E)-3-chloro-2-propen-1-yl]oxy]imino]propyl]-5-[2-(ethylsulfonyl)propyl]-3-hydroxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 289.8±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.75
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 310.5±7.0 cm3

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