ChemSpider 2D Image | (4S,5aR,7aR)-4-Methyl-5,5a,6,7,7a,7b-hexahydroindeno[1,7-bc]furan-2(4H)-one | C11H14O2

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

  • Molecular FormulaC11H14O2
  • Average mass178.228 Da
  • Monoisotopic mass178.099380 Da
  • ChemSpider ID28284509

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4S,5aR,7aR)-4-Methyl-5,5a,6,7,7a,7b-hexahydroindeno[1,7-bc]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4S,5aR,7aR)-4-Methyl-5,5a,6,7,7a,7b-hexahydroindeno[1,7-bc]furan-2(4H)-one [ACD/IUPAC Name]
(4S,5aR,7aR)-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-4-methyl-, (4S,5aR,7aR)- [ACD/Index Name]
(+)-desoxygaliellalactone
Desoxy-galiellalactone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 341.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 141.6±16.7 °C
Index of Refraction: 1.543
Molar Refractivity: 48.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.32
ACD/KOC (pH 5.5): 490.71
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.32
ACD/KOC (pH 7.4): 490.71
Polar Surface Area: 26 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 153.1±5.0 cm3

Click to predict properties on the Chemicalize site


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