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Search term: AJGPKTWULSZUGH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(4E)-2-(Hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxotetrahydro-2-furanyl]methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate | C22H38O7

[(4E)-2-(Hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxotetrahydro-2-furanyl]methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

  • Molecular FormulaC22H38O7
  • Average mass414.533 Da
  • Monoisotopic mass414.261749 Da
  • ChemSpider ID34257259

  • Double-bond stereo - Double-bond stereo

More details:

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

[(4E)-2-(Hydroxymethyl)-4-(3-isobutyl-5-methylhexyliden)-5-oxotetrahydro-2-furanyl]methyl-3-hydroxy-2-(hydroxymethyl)-2-methylpropanoat [German] [ACD/IUPAC Name]
[(4E)-2-(Hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxotetrahydro-2-furanyl]methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate [ACD/IUPAC Name]
3-Hydroxy-2-(hydroxyméthyl)-2-méthylpropanoate de [(4E)-2-(hydroxyméthyl)-4-(3-isobutyl-5-méthylhexylidène)-5-oxotétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, [(4E)-tetrahydro-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxo-2-furanyl]methyl ester [ACD/Index 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: 541.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 176.2±23.6 °C
Index of Refraction: 1.527
Molar Refractivity: 111.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.21
ACD/KOC (pH 5.5): 1221.82
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.21
ACD/KOC (pH 7.4): 1221.82
Polar Surface Area: 113 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

Click to predict properties on the Chemicalize site


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