ChemSpider 2D Image | 2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one | C25H36O4

2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one

  • Molecular FormulaC25H36O4
  • Average mass400.551 Da
  • Monoisotopic mass400.261353 Da
  • ChemSpider ID78435086

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one [ACD/IUPAC Name]
2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tétraméthyl-2,5,7,11-tridécatétraén-1-yl]-6-méthoxy-3,5-diméthyl-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-6-methoxy-3,5-dimethyl- [ACD/Index Name]
2-(10-Hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl)-6-methoxy-3,5-dimethylpyran-4-one
88378-59-0 [RN]
Actinopyrone A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 186.3±23.6 °C
Index of Refraction: 1.527
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7923.69
ACD/KOC (pH 5.5): 21500.21
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7923.69
ACD/KOC (pH 7.4): 21500.21
Polar Surface Area: 56 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

Click to predict properties on the Chemicalize site


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