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

(3S,5E,7E)-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 ID44209377

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,5E,7E)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-9,10-secocholesta-5,7,10-trien [German] [ACD/IUPAC Name]
(3S,5E,7E)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-9,10-secocholesta-5,7,10-triene [ACD/IUPAC Name]
(3S,5E,7E)-3-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-9,10-sécocholesta-5,7,10-triène [French] [ACD/IUPAC Name]
1H-Indene, 4-[(2E)-2-[(5S)-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-, (1R,3aS,4E,7aR)- [ACD/Index Name]
[(1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
87649-55-6 [RN]
87649-56-7 [RN]
CS-14082
Silane, (1,1-dimethylethyl)dimethyl[[(3??,5E,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl]oxy]-
Silane, (1,1-diMethylethyl)diMethyl[[(3β,5E,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl]oxy]-
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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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