Found 1 result

Search term: demethylluteothin (Found by synonym)
ChemSpider 2D Image | 2-[(3E,5E)-3,5-Dimethyl-6-(4-nitrophenyl)-3,5-hexadien-1-yl]-6-hydroxy-3,5-dimethyl-4H-pyran-4-one | C21H23NO5

2-[(3E,5E)-3,5-Dimethyl-6-(4-nitrophenyl)-3,5-hexadien-1-yl]-6-hydroxy-3,5-dimethyl-4H-pyran-4-one

  • Molecular FormulaC21H23NO5
  • Average mass369.411 Da
  • Monoisotopic mass369.157623 Da
  • ChemSpider ID129307211

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3E,5E)-3,5-Dimethyl-6-(4-nitrophenyl)-3,5-hexadien-1-yl]-6-hydroxy-3,5-dimethyl-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-[(3E,5E)-3,5-Dimethyl-6-(4-nitrophenyl)-3,5-hexadien-1-yl]-6-hydroxy-3,5-dimethyl-4H-pyran-4-one [ACD/IUPAC Name]
2-[(3E,5E)-3,5-Diméthyl-6-(4-nitrophényl)-3,5-hexadién-1-yl]-6-hydroxy-3,5-diméthyl-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(3E,5E)-3,5-dimethyl-6-(4-nitrophenyl)-3,5-hexadien-1-yl]-6-hydroxy-3,5-dimethyl- [ACD/Index Name]
C22086
Demethylluteothin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.6±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 104.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 149.34
ACD/KOC (pH 5.5): 634.31
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 10.94
Polar Surface Area: 92 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 303.5±3.0 cm3

Click to predict properties on the Chemicalize site


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