Found 2 results

Search term: CWUBYUVPEPMVTM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Bis(2-methoxyethyl) (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate | C22H28O10

Bis(2-methoxyethyl) (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

  • Molecular FormulaC22H28O10
  • Average mass452.452 Da
  • Monoisotopic mass452.168243 Da
  • ChemSpider ID62610543

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3R,4S)-2-(1,3-Benzodioxol-5-yl)-4-hydroxy-4-méthyl-6-oxo-1,3-cyclohexanedicarboxylate de bis(2-méthoxyéthyle) [French] [ACD/IUPAC Name]
1,3-Cyclohexanedicarboxylic acid, 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxo-, bis(2-methoxyethyl) ester, (1S,2S,3R,4S)- [ACD/Index Name]
Bis(2-methoxyethyl) (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate [ACD/IUPAC Name]
Bis(2-methoxyethyl)-(1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexandicarboxylat [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: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 203.7±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.61
ACD/KOC (pH 5.5): 119.55
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 117.36
Polar Surface Area: 127 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 347.7±3.0 cm3

Click to predict properties on the Chemicalize site


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