ChemSpider 2D Image | 1-{3,4-Bis(3-methyl-2-buten-1-yl)-2,3,5-tris[(trimethylsilyl)oxy]-1,4-cyclopentadien-1-yl}-2-methyl-1-propanone | C28H52O4Si3

1-{3,4-Bis(3-methyl-2-buten-1-yl)-2,3,5-tris[(trimethylsilyl)oxy]-1,4-cyclopentadien-1-yl}-2-methyl-1-propanone

  • Molecular FormulaC28H52O4Si3
  • Average mass536.967 Da
  • Monoisotopic mass536.317322 Da
  • ChemSpider ID461918

More details:






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

1-{3,4-Bis(3-methyl-2-buten-1-yl)-2,3,5-tris[(trimethylsilyl)oxy]-1,4-cyclopentadien-1-yl}-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-{3,4-Bis(3-methyl-2-buten-1-yl)-2,3,5-tris[(trimethylsilyl)oxy]-1,4-cyclopentadien-1-yl}-2-methyl-1-propanone [ACD/IUPAC Name]
1-{3,4-Bis(3-méthyl-2-butén-1-yl)-2,3,5-tris[(triméthylsilyl)oxy]-1,4-cyclopentadién-1-yl}-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3,4-bis(3-methyl-2-buten-1-yl)-2,3,5-tris[(trimethylsilyl)oxy]-1,4-cyclopentadien-1-yl]-2-methyl- [ACD/Index Name]
cis-Isocohumulone, TMS
trans-Isocohumulone, TMS

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

Density: 1.0±0.1 g/cm3
Boiling Point: 511.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 218.6±25.7 °C
Index of Refraction: 1.479
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.66
ACD/LogD (pH 5.5): 10.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8335567.00
ACD/LogD (pH 7.4): 10.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8335567.00
Polar Surface Area: 45 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 27.7±5.0 dyne/cm
Molar Volume: 562.7±5.0 cm3

Click to predict properties on the Chemicalize site






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