ChemSpider 2D Image | 2-{2,4-Dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,4-benzoquinone | C44H60O5

2-{2,4-Dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,4-benzoquinone

  • Molecular FormulaC44H60O5
  • Average mass668.944 Da
  • Monoisotopic mass668.444092 Da
  • ChemSpider ID28284984

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

2,5-Cyclohexadiene-1,4-dione, 2-[2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl]-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]- [ACD/Index Name]
2-{2,4-Dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,4-benzochinon [German] [ACD/IUPAC Name]
2-{2,4-Dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,4-benzoquinone [ACD/IUPAC Name]
2-{2,4-Dihydroxy-6-méthyl-3-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]phényl}-5-hydroxy-3-méthyl-6-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-1,4-benzoquinone [French] [ACD/IUPAC Name]
(+)-(R)-grifolinone C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 792.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 446.7±29.4 °C
Index of Refraction: 1.562
Molar Refractivity: 205.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 15.66
ACD/LogD (pH 5.5): 10.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1421188.88
ACD/LogD (pH 7.4): 9.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 144506.95
Polar Surface Area: 95 Å2
Polarizability: 81.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 632.4±3.0 cm3

Click to predict properties on the Chemicalize site


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