ChemSpider 2D Image | (2S)-2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(2-hydroxypropyl)-2-methyl-3(2H)-furanone | C14H20O3

(2S)-2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(2-hydroxypropyl)-2-methyl-3(2H)-furanone

  • Molecular FormulaC14H20O3
  • Average mass236.307 Da
  • Monoisotopic mass236.141251 Da
  • ChemSpider ID24718821

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(2-hydroxypropyl)-2-methyl-3(2H)-furanon [German] [ACD/IUPAC Name]
(2S)-2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(2-hydroxypropyl)-2-methyl-3(2H)-furanone [ACD/IUPAC Name]
(2S)-2-[(1E,3E)-1,3-Hexadién-1-yl]-5-(2-hydroxypropyl)-2-méthyl-3(2H)-furanone [French] [ACD/IUPAC Name]
3(2H)-Furanone, 2-[(1E,3E)-1,3-hexadien-1-yl]-5-(2-hydroxypropyl)-2-methyl-, (2S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519366/
Terrefuranone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 357.9±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 128.5±21.1 °C
Index of Refraction: 1.554
Molar Refractivity: 69.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.99
ACD/KOC (pH 5.5): 338.42
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.99
ACD/KOC (pH 7.4): 338.42
Polar Surface Area: 47 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 216.9±3.0 cm3

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