ChemSpider 2D Image | 2-Ethoxy-6-{[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone | C23H32O3

2-Ethoxy-6-{[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID40256906

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[[(1S,2R,4aR,8aR)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-6-ethoxy- [ACD/Index Name]
2-Ethoxy-6-{[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylendecahydro-1-naphthalinyl]methyl}-1,4-benzochinon [German] [ACD/IUPAC Name]
2-Éthoxy-6-{[(1S,2R,4aR,8aR)-1,2,4a-triméthyl-5-méthylènedécahydro-1-naphtalényl]méthyl}-1,4-benzoquinone [French] [ACD/IUPAC Name]
2-Ethoxy-6-{[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 458.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 196.7±25.7 °C
Index of Refraction: 1.532
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36947.57
ACD/KOC (pH 5.5): 64723.41
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36947.57
ACD/KOC (pH 7.4): 64723.41
Polar Surface Area: 43 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 333.3±5.0 cm3

Click to predict properties on the Chemicalize site


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