ChemSpider 2D Image | (5S)-3,5-Diethyl-5-[(4R,5E)-4-ethyl-5-octen-1-yl]-2(5H)-furanone | C18H30O2

(5S)-3,5-Diethyl-5-[(4R,5E)-4-ethyl-5-octen-1-yl]-2(5H)-furanone

  • Molecular FormulaC18H30O2
  • Average mass278.430 Da
  • Monoisotopic mass278.224579 Da
  • ChemSpider ID24687857

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-3,5-Diethyl-5-[(4R,5E)-4-ethyl-5-octen-1-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3,5-Diethyl-5-[(4R,5E)-4-ethyl-5-octen-1-yl]-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3,5-Diéthyl-5-[(4R,5E)-4-éthyl-5-octén-1-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3,5-diethyl-5-[(4R,5E)-4-ethyl-5-octen-1-yl]-, (5S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450146/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 387.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 162.9±16.7 °C
Index of Refraction: 1.468
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11227.10
ACD/KOC (pH 5.5): 27591.20
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11227.10
ACD/KOC (pH 7.4): 27591.20
Polar Surface Area: 26 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 304.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement