ChemSpider 2D Image | 2-[(1E)-N-{[(2Z)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one | C17H26ClNO3S

2-[(1E)-N-{[(2Z)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one

  • Molecular FormulaC17H26ClNO3S
  • Average mass359.911 Da
  • Monoisotopic mass359.132202 Da
  • ChemSpider ID58780936

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(1E)-N-{[(2Z)-3-Chlor-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2-[(1E)-N-{[(2Z)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one [ACD/IUPAC Name]
2-[(1E)-N-{[(2Z)-3-Chloro-2-propén-1-yl]oxy}propanimidoyl]-5-[2-(éthylsulfanyl)propyl]-3-hydroxy-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2-[(1E)-1-[[[(2Z)-3-chloro-2-propen-1-yl]oxy]imino]propyl]-5-[2-(ethylthio)propyl]-3-hydroxy- [ACD/Index 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: 472.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 239.6±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 96.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 19.71
ACD/KOC (pH 5.5): 88.36
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.02
Polar Surface Area: 84 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 304.7±7.0 cm3

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