Found 1 result

Search term: 24683326 (Found by CSID)
ChemSpider 2D Image | (2S,4aS,6aR,8S,10aS,10bR)-2-Hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-4a,6a,7,8,9,10,10a,10b-octahydro-2H-benzo[f]isochromen-1(4H)-one | C16H24O4

(2S,4aS,6aR,8S,10aS,10bR)-2-Hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-4a,6a,7,8,9,10,10a,10b-octahydro-2H-benzo[f]isochromen-1(4H)-one

  • Molecular FormulaC16H24O4
  • Average mass280.359 Da
  • Monoisotopic mass280.167450 Da
  • ChemSpider ID24683326

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,4aS,6aR,8S,10aS,10bR)-2-Hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-4a,6a,7,8,9,10,10a,10b-octahydro-2H-benzo[f]isochromen-1(4H)-on [German] [ACD/IUPAC Name]
(2S,4aS,6aR,8S,10aS,10bR)-2-Hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-4a,6a,7,8,9,10,10a,10b-octahydro-2H-benzo[f]isochromen-1(4H)-one [ACD/IUPAC Name]
(2S,4aS,6aR,8S,10aS,10bR)-2-Hydroxy-2-(hydroxyméthyl)-8,10b-diméthyl-4a,6a,7,8,9,10,10a,10b-octahydro-2H-benzo[f]isochromén-1(4H)-one [French] [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran-1(4H)-one, 4a,6a,7,8,9,10,10a,10b-octahydro-2-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-, (2S,4aS,6aR,8S,10aS,10bR)- [ACD/Index Name]
Oblongolide X

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

Density: 1.2±0.1 g/cm3
Boiling Point: 440.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±6.0 kJ/mol
Flash Point: 160.2±22.2 °C
Index of Refraction: 1.533
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 38.97
ACD/KOC (pH 5.5): 478.94
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.94
ACD/KOC (pH 7.4): 478.56
Polar Surface Area: 67 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 240.0±3.0 cm3

Click to predict properties on the Chemicalize site


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