ChemSpider 2D Image | [10]-Shogaol | C21H32O3

[10]-Shogaol

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID28716875

More details:

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

[10]-Shogaol
1-(4-Hydroxy-3-methoxyphenyl)-4-tetradecen-3-on [German] [ACD/IUPAC Name]
1-(4-Hydroxy-3-methoxyphenyl)-4-tetradecen-3-one [ACD/IUPAC Name]
1-(4-Hydroxy-3-méthoxyphényl)-4-tétradécén-3-one [French] [ACD/IUPAC Name]
36752-54-2 [RN]
4-Tetradecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)- [ACD/Index 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: 476.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 158.9±19.4 °C
Index of Refraction: 1.512
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26372.43
ACD/KOC (pH 5.5): 50844.11
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26309.15
ACD/KOC (pH 7.4): 50722.11
Polar Surface Area: 47 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 333.5±3.0 cm3

Click to predict properties on the Chemicalize site


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