ChemSpider 2D Image | (2E,6E)-N-(2-Hydroxy-2-methylpropyl)-7-[(3R,6S)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]-2,6-heptadienamide | C16H25NO4

(2E,6E)-N-(2-Hydroxy-2-methylpropyl)-7-[(3R,6S)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]-2,6-heptadienamide

  • Molecular FormulaC16H25NO4
  • Average mass295.374 Da
  • Monoisotopic mass295.178345 Da
  • ChemSpider ID29420416

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,6E)-N-(2-Hydroxy-2-methylpropyl)-7-[(3R,6S)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]-2,6-heptadienamid [German] [ACD/IUPAC Name]
(2E,6E)-N-(2-Hydroxy-2-methylpropyl)-7-[(3R,6S)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]-2,6-heptadienamide [ACD/IUPAC Name]
(2E,6E)-N-(2-Hydroxy-2-méthylpropyl)-7-[(3R,6S)-6-méthyl-3,6-dihydro-1,2-dioxin-3-yl]-2,6-heptadiénamide [French] [ACD/IUPAC Name]
2,6-Heptadienamide, 7-[(3R,6S)-3,6-dihydro-6-methyl-1,2-dioxin-3-yl]-N-(2-hydroxy-2-methylpropyl)-, (2E,6E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.3±6.0 kJ/mol
Flash Point: 237.3±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 7.01
ACD/KOC (pH 5.5): 140.23
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 7.01
ACD/KOC (pH 7.4): 140.23
Polar Surface Area: 68 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 266.9±3.0 cm3

Click to predict properties on the Chemicalize site


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