ChemSpider 2D Image | (4aS,8aS,9aS)-9a-Hydroxy-3,8a-dimethyl-5-methylene-4a,5,6,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one | C15H18O3

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

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID30656552

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,8aS,9aS)-9a-Hydroxy-3,8a-dimethyl-5-methylen-4a,5,6,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4aS,8aS,9aS)-9a-Hydroxy-3,8a-dimethyl-5-methylene-4a,5,6,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one [ACD/IUPAC Name]
(4aS,8aS,9aS)-9a-Hydroxy-3,8a-diméthyl-5-méthylène-4a,5,6,8a,9,9a-hexahydronaphto[2,3-b]furan-2(4H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,8a,9,9a-hexahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS,8aS,9aS)- [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: 435.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 187.4±21.5 °C
Index of Refraction: 1.580
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.16
ACD/KOC (pH 5.5): 369.85
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.15
ACD/KOC (pH 7.4): 369.65
Polar Surface Area: 47 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 203.3±5.0 cm3

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