ChemSpider 2D Image | (5Z)-5-[(2E)-2-Buten-1-ylidene]-3-[(2S)-2-hydroxypropyl]-2(5H)-furanone | C11H14O3

(5Z)-5-[(2E)-2-Buten-1-ylidene]-3-[(2S)-2-hydroxypropyl]-2(5H)-furanone

  • Molecular FormulaC11H14O3
  • Average mass194.227 Da
  • Monoisotopic mass194.094299 Da
  • ChemSpider ID40256840

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5Z)-5-[(2E)-2-Buten-1-yliden]-3-[(2S)-2-hydroxypropyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-5-[(2E)-2-Buten-1-ylidene]-3-[(2S)-2-hydroxypropyl]-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-5-[(2E)-2-Butén-1-ylidène]-3-[(2S)-2-hydroxypropyl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(2E)-2-buten-1-ylidene]-3-[(2S)-2-hydroxypropyl]-, (5Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 370.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 162.9±13.2 °C
Index of Refraction: 1.594
Molar Refractivity: 55.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.23
ACD/KOC (pH 5.5): 113.73
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.23
ACD/KOC (pH 7.4): 113.73
Polar Surface Area: 47 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 163.3±3.0 cm3

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