ChemSpider 2D Image | (2E)-N-[2-(4-{[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]oxy}phenyl)ethyl]-N-methyl-3-(methylsulfonyl)acrylamide | C23H31NO5S

(2E)-N-[2-(4-{[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]oxy}phenyl)ethyl]-N-methyl-3-(methylsulfonyl)acrylamide

  • Molecular FormulaC23H31NO5S
  • Average mass433.561 Da
  • Monoisotopic mass433.192291 Da
  • ChemSpider ID24644726

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(2E)-N-[2-(4-{[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]oxy}phenyl)ethyl]-N-methyl-3-(methylsulfonyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-[2-(4-{[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]oxy}phenyl)ethyl]-N-methyl-3-(methylsulfonyl)acrylamide [ACD/IUPAC Name]
(2E)-N-[2-(4-{[(2E)-3,7-Diméthyl-5-oxo-2,6-octadién-1-yl]oxy}phényl)éthyl]-N-méthyl-3-(méthylsulfonyl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2-[4-[[(2E)-3,7-dimethyl-5-oxo-2,6-octadien-1-yl]oxy]phenyl]ethyl]-N-methyl-3-(methylsulfonyl)-, (2E)- [ACD/Index Name]
methylgerambullone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 666.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.8±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.43
ACD/KOC (pH 5.5): 559.53
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.43
ACD/KOC (pH 7.4): 559.53
Polar Surface Area: 89 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 380.3±3.0 cm3

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