ChemSpider 2D Image | [(4Z)-4-(4-Chlorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydro-2-furanyl]methyl pivalate | C18H21ClO5

[(4Z)-4-(4-Chlorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydro-2-furanyl]methyl pivalate

  • Molecular FormulaC18H21ClO5
  • Average mass352.809 Da
  • Monoisotopic mass352.107758 Da
  • ChemSpider ID23330415

  • Double-bond stereo - Double-bond stereo

More details:

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

[(4Z)-4-(4-Chlorbenzyliden)-2-(hydroxymethyl)-5-oxotetrahydro-2-furanyl]methylpivalat [German] [ACD/IUPAC Name]
[(4Z)-4-(4-Chlorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydro-2-furanyl]methyl pivalate [ACD/IUPAC Name]
Pivalate de [(4Z)-4-(4-chlorobenzylidène)-2-(hydroxyméthyl)-5-oxotétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, [(4Z)-4-[(4-chlorophenyl)methylene]tetrahydro-2-(hydroxymethyl)-5-oxo-2-furanyl]methyl ester [ACD/Index Name]
[(4Z)-4-(4-chlorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate
CHEMBL508401
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508401/
rac-(E/Z)-(4-(4-chlorobenzylidene)-2-(hydroxymethyl)-5-oxo-tetrahydrofuran-2-yl)methyl pivalate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 460.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.5±25.7 °C
Index of Refraction: 1.567
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.30
ACD/KOC (pH 5.5): 1643.99
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.30
ACD/KOC (pH 7.4): 1643.99
Polar Surface Area: 73 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 280.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement