ChemSpider 2D Image | (4R,4aS,5R,8aS,9aS)-4-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one | C15H22O3

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

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID30656714

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,4aS,5R,8aS,9aS)-4-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4R,4aS,5R,8aS,9aS)-4-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one [ACD/IUPAC Name]
(4R,4aS,5R,8aS,9aS)-4-Hydroxy-3,4a,5-triméthyl-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-4-hydroxy-3,4a,5-trimethyl-, (4R,4aS,5R,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: 420.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±6.0 kJ/mol
Flash Point: 177.8±20.1 °C
Index of Refraction: 1.543
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.94
ACD/KOC (pH 5.5): 999.58
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.94
ACD/KOC (pH 7.4): 999.58
Polar Surface Area: 47 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

Click to predict properties on the Chemicalize site


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