ChemSpider 2D Image | 4-[(2E)-2-Butenoyl]-2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-3(2H)-furanone | C16H20O5

4-[(2E)-2-Butenoyl]-2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-3(2H)-furanone

  • Molecular FormulaC16H20O5
  • Average mass292.327 Da
  • Monoisotopic mass292.131073 Da
  • ChemSpider ID24690107

  • Double-bond stereo - Double-bond stereo

More details:

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

3(2H)-Furanone, 2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-4-[(2E)-1-oxo-2-buten-1-yl]- [ACD/Index Name]
4-[(2E)-2-Butenoyl]-2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-3(2H)-furanon [German] [ACD/IUPAC Name]
4-[(2E)-2-Butenoyl]-2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-3(2H)-furanone [ACD/IUPAC Name]
4-[(2E)-2-Butenoyl]-2-[(1E,3E)-5-hydroxy-1,3-hexadién-1-yl]-5-méthoxy-2-méthyl-3(2H)-furanone [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457041/
PENICILLIOL A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 155.7±22.2 °C
Index of Refraction: 1.537
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.42
ACD/KOC (pH 5.5): 100.76
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 100.76
Polar Surface Area: 73 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 251.4±5.0 cm3

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