ChemSpider 2D Image | 2-[(6E,10E)-3-Hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl-1,4-benzoquinone | C29H44O3

2-[(6E,10E)-3-Hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl-1,4-benzoquinone

  • Molecular FormulaC29H44O3
  • Average mass440.658 Da
  • Monoisotopic mass440.329041 Da
  • ChemSpider ID72389904

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl- [ACD/Index Name]
2-[(6E,10E)-3-Hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(6E,10E)-3-Hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl-1,4-benzoquinone [ACD/IUPAC Name]
2-[(6E,10E)-3-Hydroxy-3,7,11,15-tétraméthyl-6,10,14-hexadécatrién-1-yl]-3,5,6-triméthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]
1213269-98-7 [RN]
EPI-743

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

Density: 1.0±0.1 g/cm3
Boiling Point: 565.6±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 309.9±23.6 °C
Index of Refraction: 1.512
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 970852.06
ACD/KOC (pH 5.5): 671696.00
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 970852.06
ACD/KOC (pH 7.4): 671696.00
Polar Surface Area: 54 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 450.5±3.0 cm3

Click to predict properties on the Chemicalize site


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