ChemSpider 2D Image | (5S)-5-[(1S,2E,4E)-1-Hydroxy-2,4-hexadien-1-yl]dihydro-2(3H)-furanone | C10H14O3

(5S)-5-[(1S,2E,4E)-1-Hydroxy-2,4-hexadien-1-yl]dihydro-2(3H)-furanone

  • Molecular FormulaC10H14O3
  • Average mass182.216 Da
  • Monoisotopic mass182.094299 Da
  • ChemSpider ID61861215

  • 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)-5-[(1S,2E,4E)-1-Hydroxy-2,4-hexadien-1-yl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-[(1S,2E,4E)-1-Hydroxy-2,4-hexadien-1-yl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(5S)-5-[(1S,2E,4E)-1-Hydroxy-2,4-hexadién-1-yl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-5-[(1S,2E,4E)-1-hydroxy-2,4-hexadien-1-yl]-, (5S)- [ACD/Index Name]
2089478-38-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 362.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 160.8±13.2 °C
Index of Refraction: 1.522
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 39.06
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 39.06
Polar Surface Area: 47 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 162.6±3.0 cm3

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