ChemSpider 2D Image | Strobilurin C | C21H26O4

Strobilurin C

  • Molecular FormulaC21H26O4
  • Average mass342.429 Da
  • Monoisotopic mass342.183105 Da
  • ChemSpider ID32700878

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,3Z,5E)-2-(Méthoxyméthylène)-3-méthyl-6-{3-[(3-méthyl-2-butén-1-yl)oxy]phényl}-3,5-hexadiénoate de méthyle [French] [ACD/IUPAC Name]
3,5-Hexadienoic acid, 2-(methoxymethylene)-3-methyl-6-[3-[(3-methyl-2-buten-1-yl)oxy]phenyl]-, methyl ester, (2E,3Z,5E)- [ACD/Index Name]
87081-57-0 [RN]
Methyl (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-{3-[(3-methyl-2-buten-1-yl)oxy]phenyl}-3,5-hexadienoate [ACD/IUPAC Name]
Methyl-(2E,3Z,5E)-2-(methoxymethylen)-3-methyl-6-{3-[(3-methyl-2-buten-1-yl)oxy]phenyl}-3,5-hexadienoat [German] [ACD/IUPAC Name]
Strobilurin C

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

R3H6UUM11T [DBID]
UNII:R3H6UUM11T [DBID]
UNII-R3H6UUM11T [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 493.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 214.3±28.8 °C
Index of Refraction: 1.544
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1076.84
ACD/KOC (pH 5.5): 5152.46
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1076.84
ACD/KOC (pH 7.4): 5152.46
Polar Surface Area: 45 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 326.1±3.0 cm3

Click to predict properties on the Chemicalize site


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