ChemSpider 2D Image | Ethyl (11-hydroxy-2-methyl-8-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzoxecin-9-yl)acetate | C18H24O5

Ethyl (11-hydroxy-2-methyl-8-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzoxecin-9-yl)acetate

  • Molecular FormulaC18H24O5
  • Average mass320.380 Da
  • Monoisotopic mass320.162384 Da
  • ChemSpider ID29214322

More details:

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

(11-Hydroxy-2-méthyl-8-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzoxécin-9-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
2H-1-Benzoxecin-9-acetic acid, 3,4,5,6,7,8-hexahydro-11-hydroxy-2-methyl-8-oxo-, ethyl ester [ACD/Index Name]
Ethyl (11-hydroxy-2-methyl-8-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzoxecin-9-yl)acetate [ACD/IUPAC Name]
Ethyl-(11-hydroxy-2-methyl-8-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzoxecin-9-yl)acetat [German] [ACD/IUPAC Name]
phomopsin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 489.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 173.2±22.2 °C
Index of Refraction: 1.519
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1242.08
ACD/KOC (pH 5.5): 5692.41
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 734.04
ACD/KOC (pH 7.4): 3364.09
Polar Surface Area: 73 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 282.5±3.0 cm3

Click to predict properties on the Chemicalize site


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