ChemSpider 2D Image | 2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfinyl)propyl]-3,5-dihydroxy-2-cyclohexen-1-one | C17H26ClNO5S

2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfinyl)propyl]-3,5-dihydroxy-2-cyclohexen-1-one

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID48060542

  • Double-bond stereo - Double-bond stereo

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-(ethylsulfinyl)propyl]-3,5-dihydroxy-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfinyl)propyl]-3,5-dihydroxy-2-cyclohexen-1-one [ACD/IUPAC Name]
2-[(1E)-N-{[(2E)-3-Chloro-2-propén-1-yl]oxy}propanimidoyl]-5-[2-(éthylsulfinyl)propyl]-3,5-dihydroxy-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-(ethylsulfinyl)propyl]-3,5-dihydroxy- [ACD/Index Name]
111031-08-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 305.4±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 98.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 302.0±7.0 cm3

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