ChemSpider 2D Image | 2-[(2E,6E,9S)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone | C24H34O5

2-[(2E,6E,9S)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID78441658

  • 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,9S)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-5,6-dimethoxy-3-methyl- [ACD/Index Name]
2-[(2E,6E,9S)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(2E,6E,9S)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone [ACD/IUPAC Name]
2-[(2E,6E,9S)-9-Hydroxy-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-5,6-diméthoxy-3-méthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]
Antroquinonol N

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 192.4±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2977.59
ACD/KOC (pH 5.5): 10670.57
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2977.59
ACD/KOC (pH 7.4): 10670.57
Polar Surface Area: 73 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 373.0±5.0 cm3

Click to predict properties on the Chemicalize site


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