ChemSpider 2D Image | Ethyl (2E)-3-[(2S,4aR,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picenyl]acrylate (non-preferre
d name) | C36H54O5

Ethyl (2E)-3-[(2S,4aR,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picenyl]acrylate (non-preferre d name)

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID90657270
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2E)-3-[(2S,4aR,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-Acétoxy-2,4a,6a,6b,9,9,12a-heptaméthyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picényl]acrylate d'éthyle (non-prefe rred name) [French] [ACD/IUPAC Name]
Ethyl (2E)-3-[(2S,4aR,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picenyl]acrylate (non-preferre d name) [ACD/IUPAC Name]
Ethyl-(2E)-3-[(2S,4aR,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-2-picenyl]acrylat (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 607.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 248.4±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 161.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 8.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1860619.63
ACD/LogD (pH 7.4): 8.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1860619.63
Polar Surface Area: 70 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 515.7±5.0 cm3

Click to predict properties on the Chemicalize site






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