ChemSpider 2D Image | N-{(5S,6S,8R,10S)-5-[3-(2-Methoxyethoxy)phenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.0~1,6~]undec-10-yl}-3-methylbutanamide | C26H39NO4

N-{(5S,6S,8R,10S)-5-[3-(2-Methoxyethoxy)phenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undec-10-yl}-3-methylbutanamide

  • Molecular FormulaC26H39NO4
  • Average mass429.592 Da
  • Monoisotopic mass429.287903 Da
  • ChemSpider ID60562608

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Butanamide, 3-methyl-N-[(1S,5S,7R,8aS)-octahydro-1-[3-(2-methoxyethoxy)phenyl]-6,6-dimethyl-4a,7-methano-4aH-2-benzopyran-5-yl]- [ACD/Index Name]
N-{(5S,6S,8R,10S)-5-[3-(2-Methoxyethoxy)phenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undec-10-yl}-3-methylbutanamid [German] [ACD/IUPAC Name]
N-{(5S,6S,8R,10S)-5-[3-(2-Methoxyethoxy)phenyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undec-10-yl}-3-methylbutanamide [ACD/IUPAC Name]
N-{(5S,6S,8R,10S)-5-[3-(2-Méthoxyéthoxy)phényl]-9,9-diméthyl-4-oxatricyclo[6.2.1.01,6]undéc-10-yl}-3-méthylbutanamide [French] [ACD/IUPAC 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: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.4±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1461.08
ACD/KOC (pH 5.5): 6410.20
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1461.08
ACD/KOC (pH 7.4): 6410.20
Polar Surface Area: 57 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 386.1±5.0 cm3

Click to predict properties on the Chemicalize site


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