ChemSpider 2D Image | Methyl 6-hydroxy-2,6-dimethyl-8-(1,4,6-trimethyl-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)octanoate | C20H30O6

Methyl 6-hydroxy-2,6-dimethyl-8-(1,4,6-trimethyl-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)octanoate

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID35516624

More details:

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

6-Hydroxy-2,6-diméthyl-8-(1,4,6-triméthyl-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl)octanoate de méthyle [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]hept-3-ene-3-octanoic acid, ε-hydroxy-α,ε,1,4,6-pentamethyl-2,5-dioxo-, methyl ester [ACD/Index Name]
Methyl 6-hydroxy-2,6-dimethyl-8-(1,4,6-trimethyl-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)octanoate [ACD/IUPAC Name]
Methyl-6-hydroxy-2,6-dimethyl-8-(1,4,6-trimethyl-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)octanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.6±6.0 kJ/mol
Flash Point: 163.5±22.2 °C
Index of Refraction: 1.516
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.25
ACD/KOC (pH 5.5): 408.88
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.25
ACD/KOC (pH 7.4): 408.88
Polar Surface Area: 93 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 315.6±3.0 cm3

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