ChemSpider 2D Image | (5Z,8Z)-N-[(2R)-1-Hydroxy-2-propanyl]-11-[3-(2-methyl-2-octanyl)phenoxy]-5,8-undecadienamide | C29H47NO3

(5Z,8Z)-N-[(2R)-1-Hydroxy-2-propanyl]-11-[3-(2-methyl-2-octanyl)phenoxy]-5,8-undecadienamide

  • Molecular FormulaC29H47NO3
  • Average mass457.688 Da
  • Monoisotopic mass457.355591 Da
  • ChemSpider ID23301941
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5Z,8Z)-N-[(2R)-1-Hydroxy-2-propanyl]-11-[3-(2-methyl-2-octanyl)phenoxy]-5,8-undecadienamid [German] [ACD/IUPAC Name]
(5Z,8Z)-N-[(2R)-1-Hydroxy-2-propanyl]-11-[3-(2-methyl-2-octanyl)phenoxy]-5,8-undecadienamide [ACD/IUPAC Name]
(5Z,8Z)-N-[(2R)-1-Hydroxy-2-propanyl]-11-[3-(2-méthyl-2-octanyl)phénoxy]-5,8-undécadiénamide [French] [ACD/IUPAC Name]
(5Z,8Z)-N-[(2R)-1-hydroxypropan-2-yl]-11-[3-(2-methyloctan-2-yl)phenoxy]undeca-5,8-dienamide
5,8-Undecadienamide, 11-[3-(1,1-dimethylheptyl)phenoxy]-N-[(1R)-2-hydroxy-1-methylethyl]-, (5Z,8Z)- [ACD/Index Name]
11-[3-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dienoic acid [R(1-hydroxypropan-2-yl)]-amide
CHEMBL391858

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 620.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.8±31.5 °C
Index of Refraction: 1.510
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 414367.66
ACD/KOC (pH 5.5): 365171.72
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 414367.66
ACD/KOC (pH 7.4): 365171.72
Polar Surface Area: 59 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 468.3±3.0 cm3

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