ChemSpider 2D Image | (2S,3E,6E)-2-Isopropyl-13-{[2-(trimethylsilyl)ethoxy]methyl}-13-azabicyclo[10.2.1]pentadeca-1(14),3,6,12(15)-tetraene-14-carboxylic acid | C24H39NO3Si

(2S,3E,6E)-2-Isopropyl-13-{[2-(trimethylsilyl)ethoxy]methyl}-13-azabicyclo[10.2.1]pentadeca-1(14),3,6,12(15)-tetraene-14-carboxylic acid

  • Molecular FormulaC24H39NO3Si
  • Average mass417.657 Da
  • Monoisotopic mass417.269928 Da
  • ChemSpider ID74049617

  • 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

(2S,3E,6E)-2-Isopropyl-13-{[2-(trimethylsilyl)ethoxy]methyl}-13-azabicyclo[10.2.1]pentadeca-1(14),3,6,12(15)-tetraen-14-carbonsäure [German] [ACD/IUPAC Name]
(2S,3E,6E)-2-Isopropyl-13-{[2-(trimethylsilyl)ethoxy]methyl}-13-azabicyclo[10.2.1]pentadeca-1(14),3,6,12(15)-tetraene-14-carboxylic acid [ACD/IUPAC Name]
13-Azabicyclo[10.2.1]pentadeca-3,6,12(15),14-tetraene-14-carboxylic acid, 2-(1-methylethyl)-13-[[2-(trimethylsilyl)ethoxy]methyl]-, (2S,3E,6E)- [ACD/Index Name]
Acide (2S,3E,6E)-2-isopropyl-13-{[2-(triméthylsilyl)éthoxy]méthyl}-13-azabicyclo[10.2.1]pentadéca-1(14),3,6,12(15)-tétraène-14-carboxylique [French] [ACD/IUPAC 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: 517.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.8±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 33903.71
ACD/KOC (pH 5.5): 40592.44
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 657.51
ACD/KOC (pH 7.4): 787.23
Polar Surface Area: 51 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 32.1±7.0 dyne/cm
Molar Volume: 408.4±7.0 cm3

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