ChemSpider 2D Image | (5S,6R,8S,8aR)-5-(2-Hydroxy-2-propanyl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-6-azulenyl acetate | C17H26O4

(5S,6R,8S,8aR)-5-(2-Hydroxy-2-propanyl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-6-azulenyl acetate

  • Molecular FormulaC17H26O4
  • Average mass294.386 Da
  • Monoisotopic mass294.183105 Da
  • ChemSpider ID33823910

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,6R,8S,8aR)-5-(2-Hydroxy-2-propanyl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-6-azulenyl acetate [ACD/IUPAC Name]
(5S,6R,8S,8aR)-5-(2-Hydroxy-2-propanyl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-6-azulenyl-acetat [German] [ACD/IUPAC Name]
2(1H)-Azulenone, 6-(acetyloxy)-4,5,6,7,8,8a-hexahydro-5-(1-hydroxy-1-methylethyl)-3,8-dimethyl-, (5S,6R,8S,8aR)- [ACD/Index Name]
Acétate de (5S,6R,8S,8aR)-5-(2-hydroxy-2-propanyl)-3,8-diméthyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-6-azulényle [French] [ACD/IUPAC Name]
20482-21-7 [RN]
8-O-Acetyltorilolone
MFCD28100338

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

Density: 1.1±0.1 g/cm3
Boiling Point: 410.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±6.0 kJ/mol
Flash Point: 141.9±22.2 °C
Index of Refraction: 1.513
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.65
ACD/KOC (pH 5.5): 813.22
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.65
ACD/KOC (pH 7.4): 813.22
Polar Surface Area: 64 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 264.6±5.0 cm3

Click to predict properties on the Chemicalize site


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