ChemSpider 2D Image | capilloquinone | C27H40O4

capilloquinone

  • Molecular FormulaC27H40O4
  • Average mass428.604 Da
  • Monoisotopic mass428.292664 Da
  • ChemSpider ID24671864

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[(2E,6E,10E,14S)-14,15-dihydroxy-3,7,11,15-tetramethyl-2,6,10-hexadecatrien-1-yl]-5-methyl- [ACD/Index Name]
2-[(2E,6E,10E,14S)-14,15-Dihydroxy-3,7,11,15-tetramethyl-2,6,10-hexadecatrien-1-yl]-5-methyl-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(2E,6E,10E,14S)-14,15-Dihydroxy-3,7,11,15-tetramethyl-2,6,10-hexadecatrien-1-yl]-5-methyl-1,4-benzoquinone [ACD/IUPAC Name]
2-[(2E,6E,10E,14S)-14,15-Dihydroxy-3,7,11,15-tétraméthyl-2,6,10-hexadécatrién-1-yl]-5-méthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]
capilloquinone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 330.9±28.0 °C
Index of Refraction: 1.529
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13499.13
ACD/KOC (pH 5.5): 31481.92
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13499.13
ACD/KOC (pH 7.4): 31481.92
Polar Surface Area: 75 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 412.4±3.0 cm3

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