ChemSpider 2D Image | 2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl-1,4-benzoquinone | C27H38O3

2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl-1,4-benzoquinone

  • Molecular FormulaC27H38O3
  • Average mass410.589 Da
  • Monoisotopic mass410.282104 Da
  • ChemSpider ID35516705

  • 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-[(2E,6E,10E)-12-hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl- [ACD/Index Name]
2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl-1,4-benzoquinone [ACD/IUPAC Name]
2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]-6-méthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 547.9±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.1±6.0 kJ/mol
Flash Point: 299.2±23.6 °C
Index of Refraction: 1.528
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 123409.24
ACD/KOC (pH 5.5): 153449.19
ACD/LogD (pH 7.4): 7.00
ACD/BCF (pH 7.4): 123409.24
ACD/KOC (pH 7.4): 153449.19
Polar Surface Area: 54 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 408.3±3.0 cm3

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