ChemSpider 2D Image | 5-Hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methyl-2-cyclohexene-1,4-dione | C15H20O5

5-Hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methyl-2-cyclohexene-1,4-dione

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID78441145

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Cyclohexene-1,4-dione, 5-hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methyl- [ACD/Index Name]
5-Hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methyl-2-cyclohexen-1,4-dion [German] [ACD/IUPAC Name]
5-Hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methyl-2-cyclohexene-1,4-dione [ACD/IUPAC Name]
5-Hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-triméthyl-3-oxocyclopentyl]-5-méthyl-2-cyclohexène-1,4-dione [French] [ACD/IUPAC Name]
Flamvelutpenoid D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 464.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 248.9±25.2 °C
Index of Refraction: 1.557
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.48
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.48
Polar Surface Area: 92 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 218.8±3.0 cm3

Click to predict properties on the Chemicalize site


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