ChemSpider 2D Image | 4-Methoxy-3,6-dioxo-2-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]-1,4-cyclohexadien-1-olate | C22H29O4

4-Methoxy-3,6-dioxo-2-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]-1,4-cyclohexadien-1-olate

  • Molecular FormulaC22H29O4
  • Average mass357.464 Da
  • Monoisotopic mass357.207123 Da
  • ChemSpider ID26332118

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]-, ion(1-) [ACD/Index Name]
4-Methoxy-3,6-dioxo-2-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]-1,4-cyclohexadien-1-olat [German] [ACD/IUPAC Name]
4-Methoxy-3,6-dioxo-2-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]-1,4-cyclohexadien-1-olate [ACD/IUPAC Name]
4-Méthoxy-3,6-dioxo-2-[(8Z,11Z)-8,11,14-pentadécatrién-1-yl]-1,4-cyclohexadién-1-olate [French] [ACD/IUPAC Name]
2-hydroxy-5-methoxy-3-[(Z,Z)-8',11',14'-pentadecatriene]-p-benzoquinone
4-methoxy-3,6-dioxo-2-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]cyclohexa-1,4-dien-1-olate
sorgoleone
sorgoleone anion
sorgoleone(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion which is obtained by removal of a proton from the hydroxy group of sorgoleone. The major form of sorgoleone at pH 7.3. ChEBI CHEBI:61098

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

Density:
Boiling Point: 505.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 168.5±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 39.64
ACD/KOC (pH 5.5): 94.15
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 10.58
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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