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Search term: LCYCCEPOCDPASB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | [(4E)-2-(Hydroxymethyl)-5-oxo-4-(8-oxooctylidene)tetrahydro-2-furanyl]methyl pivalate | C19H30O6

[(4E)-2-(Hydroxymethyl)-5-oxo-4-(8-oxooctylidene)tetrahydro-2-furanyl]methyl pivalate

  • Molecular FormulaC19H30O6
  • Average mass354.438 Da
  • Monoisotopic mass354.204254 Da
  • ChemSpider ID24648751
  • Double-bond stereo - Double-bond stereo


More details:






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

[(4E)-2-(Hydroxymethyl)-5-oxo-4-(8-oxooctyliden)tetrahydro-2-furanyl]methylpivalat [German] [ACD/IUPAC Name]
[(4E)-2-(Hydroxymethyl)-5-oxo-4-(8-oxooctylidene)tetrahydro-2-furanyl]methyl pivalate [ACD/IUPAC Name]
Pivalate de [(4E)-2-(hydroxyméthyl)-5-oxo-4-(8-oxooctylidène)tétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, [(4E)-tetrahydro-2-(hydroxymethyl)-5-oxo-4-(8-oxooctylidene)-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: 465.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 155.3±19.2 °C
Index of Refraction: 1.516
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.52
ACD/KOC (pH 5.5): 868.52
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.52
ACD/KOC (pH 7.4): 868.52
Polar Surface Area: 90 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 314.0±3.0 cm3

Click to predict properties on the Chemicalize site






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