ChemSpider 2D Image | (2aR,4aR,7aS,7bS)-1-Butyl-6,6-dimethyl-2-[(triisopropylsilyl)oxy]-2a,4,4a,5,6,7,7a,7b-octahydro-3H-cyclobuta[e]inden-3-one | C26H46O2Si

(2aR,4aR,7aS,7bS)-1-Butyl-6,6-dimethyl-2-[(triisopropylsilyl)oxy]-2a,4,4a,5,6,7,7a,7b-octahydro-3H-cyclobuta[e]inden-3-one

  • Molecular FormulaC26H46O2Si
  • Average mass418.728 Da
  • Monoisotopic mass418.326721 Da
  • ChemSpider ID77406676

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2aR,4aR,7aS,7bS)-1-Butyl-6,6-dimethyl-2-[(triisopropylsilyl)oxy]-2a,4,4a,5,6,7,7a,7b-octahydro-3H-cyclobuta[e]inden-3-on [German] [ACD/IUPAC Name]
(2aR,4aR,7aS,7bS)-1-Butyl-6,6-dimethyl-2-[(triisopropylsilyl)oxy]-2a,4,4a,5,6,7,7a,7b-octahydro-3H-cyclobuta[e]inden-3-one [ACD/IUPAC Name]
(2aR,4aR,7aS,7bS)-1-Butyl-6,6-diméthyl-2-[(triisopropylsilyl)oxy]-2a,4,4a,5,6,7,7a,7b-octahydro-3H-cyclobuta[e]indén-3-one [French] [ACD/IUPAC Name]
3H-Cyclobut[e]inden-3-one, 1-butyl-2a,4,4a,5,6,7,7a,7b-octahydro-6,6-dimethyl-2-[[tris(1-methylethyl)silyl]oxy]-, (2aR,4aR,7aS,7bS)- [ACD/Index 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: 459.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 192.4±20.9 °C
Index of Refraction: 1.493
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 8.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 921677.75
ACD/LogD (pH 7.4): 8.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 921677.75
Polar Surface Area: 26 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 31.7±5.0 dyne/cm
Molar Volume: 434.5±5.0 cm3

Click to predict properties on the Chemicalize site


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