ChemSpider 2D Image | Ethyl (1S,2S,3S,4R)-3-formylbicyclo[2.2.1]hept-5-ene-2-carboxylate | C11H14O3

Ethyl (1S,2S,3S,4R)-3-formylbicyclo[2.2.1]hept-5-ene-2-carboxylate

  • Molecular FormulaC11H14O3
  • Average mass194.227 Da
  • Monoisotopic mass194.094299 Da
  • ChemSpider ID110429040

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3S,4R)-3-Formylbicyclo[2.2.1]hept-5-ène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-formyl-, ethyl ester, (1S,2S,3S,4R)- [ACD/Index Name]
Ethyl (1S,2S,3S,4R)-3-formylbicyclo[2.2.1]hept-5-ene-2-carboxylate [ACD/IUPAC Name]
Ethyl-(1S,2S,3S,4R)-3-formylbicyclo[2.2.1]hept-5-en-2-carboxylat [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: 273.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.2±3.0 kJ/mol
Flash Point: 116.2±27.4 °C
Index of Refraction: 1.569
Molar Refractivity: 52.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.60
ACD/KOC (pH 5.5): 237.22
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.60
ACD/KOC (pH 7.4): 237.22
Polar Surface Area: 43 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 159.2±3.0 cm3

Click to predict properties on the Chemicalize site


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