ChemSpider 2D Image | Methyl (3R)-4-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-methylbutanoate | C15H18O6

Methyl (3R)-4-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-methylbutanoate

  • Molecular FormulaC15H18O6
  • Average mass294.300 Da
  • Monoisotopic mass294.110352 Da
  • ChemSpider ID78441827

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4-(4-Hydroxy-6-méthoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-méthylbutanoate de méthyle [French] [ACD/IUPAC Name]
5-Isobenzofuranbutanoic acid, 1,3-dihydro-4-hydroxy-6-methoxy-β-methyl-1-oxo-, methyl ester, (βR)- [ACD/Index Name]
Methyl (3R)-4-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-methylbutanoate [ACD/IUPAC Name]
Methyl-(3R)-4-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-methylbutanoat [German] [ACD/IUPAC Name]
Erinaceolactone G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 505.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 189.1±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.94
ACD/KOC (pH 5.5): 596.08
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 47.94
ACD/KOC (pH 7.4): 539.78
Polar Surface Area: 82 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 231.2±3.0 cm3

Click to predict properties on the Chemicalize site


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