ChemSpider 2D Image | (1aR,4Z,7aS,8E,10aS,10bR)-1a,5-Dimethyl-8-[2-(trifluoromethyl)benzylidene]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | C22H23F3O3

(1aR,4Z,7aS,8E,10aS,10bR)-1a,5-Dimethyl-8-[2-(trifluoromethyl)benzylidene]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one

  • Molecular FormulaC22H23F3O3
  • Average mass392.411 Da
  • Monoisotopic mass392.159943 Da
  • ChemSpider ID30659044

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1aR,4Z,7aS,8E,10aS,10bR)-1a,5-Dimethyl-8-[2-(trifluormethyl)benzyliden]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-on [German] [ACD/IUPAC Name]
(1aR,4Z,7aS,8E,10aS,10bR)-1a,5-Dimethyl-8-[2-(trifluoromethyl)benzylidene]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one [ACD/IUPAC Name]
(1aR,4Z,7aS,8E,10aS,10bR)-1a,5-Diméthyl-8-[2-(trifluorométhyl)benzylidène]-2,3,6,7,7a,8,10a,10b-octahydrooxiréno[9,10]cyclodéca[1,2-b]furan-9(1aH)-one [French] [ACD/IUPAC Name]
Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-[[2-(trifluoromethyl)phenyl]methylene]-, (1aR,4Z,7aS,8E,10aS,10bR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 498.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 245.8±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6177.16
ACD/KOC (pH 5.5): 17990.29
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6177.16
ACD/KOC (pH 7.4): 17990.29
Polar Surface Area: 39 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 316.3±3.0 cm3

Click to predict properties on the Chemicalize site


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