ChemSpider 2D Image | Ethyl (1S,2R,5S,6R,7S,8Z)-8-(2-ethoxy-2-oxoethylidene)-1-hydroxy-3,9,11-trioxatricyclo[4.3.1.1~2,5~]undecane-7-carboxylate | C15H20O8

Ethyl (1S,2R,5S,6R,7S,8Z)-8-(2-ethoxy-2-oxoethylidene)-1-hydroxy-3,9,11-trioxatricyclo[4.3.1.12,5]undecane-7-carboxylate

  • Molecular FormulaC15H20O8
  • Average mass328.315 Da
  • Monoisotopic mass328.115814 Da
  • ChemSpider ID22996904

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,2R,5S,6R,7S,8Z)-8-(2-Éthoxy-2-oxoéthylidène)-1-hydroxy-3,9,11-trioxatricyclo[4.3.1.12,5]undécane-7-carboxylate d'éthyle [French] [ACD/IUPAC Name]
3,9,11-Trioxatricyclo[4.3.1.12,5]undecane-7-carboxylic acid, 8-(2-ethoxy-2-oxoethylidene)-1-hydroxy-, ethyl ester, (1S,2R,5S,6R,7S,8Z)- [ACD/Index Name]
Ethyl (1S,2R,5S,6R,7S,8Z)-8-(2-ethoxy-2-oxoethylidene)-1-hydroxy-3,9,11-trioxatricyclo[4.3.1.12,5]undecane-7-carboxylate [ACD/IUPAC Name]
Ethyl-(1S,2R,5S,6R,7S,8Z)-8-(2-ethoxy-2-oxoethyliden)-1-hydroxy-3,9,11-trioxatricyclo[4.3.1.12,5]undecan-7-carboxylat [German] [ACD/IUPAC Name]
8-Ethoxycarbonylmethylene-1-hydroxy-3,9,11-trioxa-tricyclo[4.3.1.1*2,5*]undecane-7-carboxylic acid ethyl ester
ethyl 2-[(1S,5S,2R,6R,7R)-7-(ethoxycarbonyl)-1-hydroxy-3,9,11-trioxatricyclo[4.3.1.1<2,5>]undec-8-ylidene]acetate
VitasMLab

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

Density: 1.4±0.1 g/cm3
Boiling Point: 470.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 171.8±22.2 °C
Index of Refraction: 1.583
Molar Refractivity: 76.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.93
ACD/KOC (pH 5.5): 75.18
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 75.18
Polar Surface Area: 101 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 229.9±3.0 cm3

Click to predict properties on the Chemicalize site


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