ChemSpider 2D Image | 5-Deoxystrigol | C19H22O5

5-Deoxystrigol

  • Molecular FormulaC19H22O5
  • Average mass330.375 Da
  • Monoisotopic mass330.146729 Da
  • ChemSpider ID30791511

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3E,3aR,8bS)-8,8-Dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylen)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-on [German] [ACD/IUPAC Name]
(3E,3aR,8bS)-8,8-Dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-one [ACD/IUPAC Name]
(3E,3aR,8bS)-8,8-Diméthyl-3-({[(2R)-4-méthyl-5-oxo-2,5-dihydro-2-furanyl]oxy}méthylène)-3,3a,4,5,6,7,8,8b-octahydro-2H-indéno[1,2-b]furan-2-one [French] [ACD/IUPAC Name]
2H-Indeno[1,2-b]furan-2-one, 3-[[[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,5,6,7,8,8b-octahydro-8,8-dimethyl-, (3E,3aR,8bS)- [ACD/Index Name]
5-Deoxystrigol
(+)-5-deoxystrigol
(±)-5-deoxystrigol
(±)5-Deoxy-strigol
(3E,3aR,8bS)-8,8-dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-one
(3E,3aR,8bS)-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 261.0±30.2 °C
Index of Refraction: 1.576
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.40
ACD/KOC (pH 5.5): 647.57
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.40
ACD/KOC (pH 7.4): 647.57
Polar Surface Area: 62 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 260.0±5.0 cm3

Click to predict properties on the Chemicalize site


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