ChemSpider 2D Image | (4S,5aR,7aR,7bR)-7b-Hydroxy-4-methyl-5,5a,6,7,7a,7b-hexahydroindeno[1,7-bc]furan-2(4H)-one | C11H14O3

(4S,5aR,7aR,7bR)-7b-Hydroxy-4-methyl-5,5a,6,7,7a,7b-hexahydroindeno[1,7-bc]furan-2(4H)-one

  • Molecular FormulaC11H14O3
  • Average mass194.227 Da
  • Monoisotopic mass194.094299 Da
  • ChemSpider ID114814719

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,5aR,7aR,7bR)-7b-Hydroxy-4-methyl-5,5a,6,7,7a,7b-hexahydroindeno[1,7-bc]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4S,5aR,7aR,7bR)-7b-Hydroxy-4-methyl-5,5a,6,7,7a,7b-hexahydroindeno[1,7-bc]furan-2(4H)-one [ACD/IUPAC Name]
(4S,5aR,7aR,7bR)-7b-Hydroxy-4-méthyl-5,5a,6,7,7a,7b-hexahydroindéno[1,7-bc]furan-2(4H)-one [French] [ACD/IUPAC Name]
Indeno[1,7-bc]furan-2(4H)-one, 5,5a,6,7,7a,7b-hexahydro-7b-hydroxy-4-methyl-, (4S,5aR,7aR,7bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 400.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 182.1±19.5 °C
Index of Refraction: 1.577
Molar Refractivity: 49.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.53
ACD/KOC (pH 5.5): 133.33
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.53
ACD/KOC (pH 7.4): 133.33
Polar Surface Area: 47 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 150.5±5.0 cm3

Click to predict properties on the Chemicalize site


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