ChemSpider 2D Image | (3E,5S)-9-[(1S)-2,2-Dimethyl-3-oxocyclohexyl]-5-hydroxy-3-methyl-7-methylene-N-(2-phenylethyl)-3-nonenamide | C27H39NO3

(3E,5S)-9-[(1S)-2,2-Dimethyl-3-oxocyclohexyl]-5-hydroxy-3-methyl-7-methylene-N-(2-phenylethyl)-3-nonenamide

  • Molecular FormulaC27H39NO3
  • Average mass425.603 Da
  • Monoisotopic mass425.292999 Da
  • ChemSpider ID40256577

  • 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

(3E,5S)-9-[(1S)-2,2-Dimethyl-3-oxocyclohexyl]-5-hydroxy-3-methyl-7-methylene-N-(2-phenylethyl)-3-nonenamide [ACD/IUPAC Name]
(3E,5S)-9-[(1S)-2,2-Diméthyl-3-oxocyclohexyl]-5-hydroxy-3-méthyl-7-méthylène-N-(2-phényléthyl)-3-nonénamide [French] [ACD/IUPAC Name]
(3E,5S)-9-[(1S)-2,2-Dimethyl-3-oxocyclohexyl]-5-hydroxy-3-methyl-7-methylen-N-(2-phenylethyl)-3-nonenamid [German] [ACD/IUPAC Name]
3-Nonenamide, 9-[(1S)-2,2-dimethyl-3-oxocyclohexyl]-5-hydroxy-3-methyl-7-methylene-N-(2-phenylethyl)-, (3E,5S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 618.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 328.0±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4069.22
ACD/KOC (pH 5.5): 13343.87
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4069.22
ACD/KOC (pH 7.4): 13343.88
Polar Surface Area: 66 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 413.3±3.0 cm3

Click to predict properties on the Chemicalize site


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