Found 11 results

Search term: QGBCGMGBGAHJIT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (3R,7S,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.0~3,8~]undec-5-ene-6-carboxylate | C11H14O5

Methyl (3R,7S,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate

  • Molecular FormulaC11H14O5
  • Average mass226.226 Da
  • Monoisotopic mass226.084122 Da
  • ChemSpider ID82827016

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3R,7S,8S,9S)-9-Méthyl-2,4,10-trioxatricyclo[5.3.1.03,8]undéc-5-ène-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,5-Methano-4H,5H-pyrano[2,3-d]-1,3-dioxin-6-carboxylic acid, 4a,8a-dihydro-4-methyl-, methyl ester, (4S,4aS,5S,8aR)- [ACD/Index Name]
Methyl (3R,7S,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate [ACD/IUPAC Name]
Methyl-(3R,7S,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-en-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 322.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 142.1±27.9 °C
Index of Refraction: 1.504
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.54
ACD/KOC (pH 5.5): 67.87
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 67.87
Polar Surface Area: 54 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 179.2±3.0 cm3

Click to predict properties on the Chemicalize site


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