ChemSpider 2D Image | norpinguisone methyl ester | C15H18O4

norpinguisone methyl ester

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID26343631

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aR,7R,7aR)-4a,7-Diméthyl-4-oxo-4,4a,5,6,7,8-hexahydro-7aH-indéno[5,6-b]furane-7a-carboxylate de méthyle [French] [ACD/IUPAC Name]
7aH-Indeno[5,6-b]furan-7a-carboxylic acid, 4,4a,5,6,7,8-hexahydro-4a,7-dimethyl-4-oxo-, methyl ester, (4aR,7R,7aR)- [ACD/Index Name]
Methyl (4aR,7R,7aR)-4a,7-dimethyl-4-oxo-4,4a,5,6,7,8-hexahydro-7aH-indeno[5,6-b]furan-7a-carboxylate [ACD/IUPAC Name]
Methyl-(4aR,7R,7aR)-4a,7-dimethyl-4-oxo-4,4a,5,6,7,8-hexahydro-7aH-indeno[5,6-b]furan-7a-carboxylat [German] [ACD/IUPAC Name]
norpinguisone methyl ester
methyl (4aR,7R,7aR)-4a,7-dimethyl-4-oxo-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-7a-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 344.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 162.4±24.6 °C
Index of Refraction: 1.535
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.97
ACD/KOC (pH 5.5): 1077.46
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.97
ACD/KOC (pH 7.4): 1077.46
Polar Surface Area: 57 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 216.9±3.0 cm3

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