ChemSpider 2D Image | (5E,7E,14xi)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-9,10-secocholesta-5,7,10-triene | C33H58OSi

(5E,7E,14ξ)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-9,10-secocholesta-5,7,10-triene

  • Molecular FormulaC33H58OSi
  • Average mass498.898 Da
  • Monoisotopic mass498.425690 Da
  • ChemSpider ID58791400

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5E,7E,14ξ)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-9,10-secocholesta-5,7,10-trien [German] [ACD/IUPAC Name]
(5E,7E,14ξ)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-9,10-secocholesta-5,7,10-triene [ACD/IUPAC Name]
(5E,7E,14ξ)-3-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-9,10-sécocholesta-5,7,10-triène [French] [ACD/IUPAC Name]
1H-Indene, 4-[(2E)-2-[5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-, (1R,4E,7aR)- [ACD/Index Name]
(1,1-dimethylethyl)dimethyl[[(3??,5e,7e)-9,10-secocholesta-5,7,10(19)-trien-3-yl]oxy]silane
87649-55-6 [RN]
Silane, (1,1-dimethylethyl)dimethyl[[(3??,5E,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl]oxy]-
tert-butyldimethyl(((E)-3-((E)-2-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)silane
tert-butyldimethyl(((e)-3-(2-((1r,3as,7ar,e)-7a-methyl-1-((r)-6-methylheptan-2-yl)octahydro-4h-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)silane

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 532.9±39.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 77.8±3.0 kJ/mol
    Flash Point: 289.9±17.3 °C
    Index of Refraction: 1.499
    Molar Refractivity: 158.0±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 13.35
    ACD/LogD (pH 5.5): 11.97
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 11.97
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 9 Å2
    Polarizability: 62.6±0.5 10-24cm3
    Surface Tension: 32.0±5.0 dyne/cm
    Molar Volume: 538.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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