ChemSpider 2D Image | Buparvaquone | C21H26O3

Buparvaquone

  • Molecular FormulaC21H26O3
  • Average mass326.429 Da
  • Monoisotopic mass326.188202 Da
  • ChemSpider ID21251512

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Naphthalenedione, 2-[[trans-4-(1,1-dimethylethyl)cyclohexyl]methyl]-3-hydroxy- [ACD/Index Name]
2-Hydroxy-3-{[trans-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-Hydroxy-3-{[trans-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-1,4-naphthoquinone [ACD/IUPAC Name]
2-Hydroxy-3-{[trans-4-(2-méthyl-2-propanyl)cyclohexyl]méthyl}-1,4-naphtoquinone [French] [ACD/IUPAC Name]
buparvacuona [Spanish] [INN]
buparvaquone [French] [INN]
Buparvaquone [INN] [Wiki]
buparvaquonum [Latin] [INN]
Butalex [Trade name]
бупарвахон [Russian] [INN]
More...

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

0354RT7LG4 [DBID]
5549 [DBID]
UNII:0354RT7LG4 [DBID]
UNII-0354RT7LG4 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 460.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 246.5±25.2 °C
Index of Refraction: 1.574
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 4346.12
ACD/KOC (pH 5.5): 9494.32
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 78.46
ACD/KOC (pH 7.4): 171.41
Polar Surface Area: 54 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

Click to predict properties on the Chemicalize site


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