ChemSpider 2D Image | (4aS)-9a-Hydroxy-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one | C15H20O3

(4aS)-9a-Hydroxy-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID28282727

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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(4aS)-9a-Hydroxy-3,8a-dimethyl-5-methylen-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4aS)-9a-Hydroxy-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one [ACD/IUPAC Name]
(4aS)-9a-Hydroxy-3,8a-diméthyl-5-méthylène-4a,5,6,7,8,8a,9,9a-octahydronaphto[2,3-b]furan-2(4H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS)- [ACD/Index Name]
atratylenolide III

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

Density: 1.2±0.1 g/cm3
Boiling Point: 424.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 181.1±21.5 °C
Index of Refraction: 1.558
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.77
ACD/KOC (pH 5.5): 594.95
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.74
ACD/KOC (pH 7.4): 594.68
Polar Surface Area: 47 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 210.0±5.0 cm3

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