ChemSpider 2D Image | (5R,6S,10R)-6-Hydroxy-10-methyl-3-methylene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione | C11H10O5

(5R,6S,10R)-6-Hydroxy-10-methyl-3-methylene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

  • Molecular FormulaC11H10O5
  • Average mass222.194 Da
  • Monoisotopic mass222.052826 Da
  • ChemSpider ID24710603

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6S,10R)-6-Hydroxy-10-methyl-3-methylen-2-oxaspiro[4.5]dec-8-en-1,4,7-trion [German] [ACD/IUPAC Name]
(5R,6S,10R)-6-Hydroxy-10-methyl-3-methylene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione [ACD/IUPAC Name]
(5R,6S,10R)-6-Hydroxy-10-méthyl-3-méthylène-2-oxaspiro[4.5]déc-8-ène-1,4,7-trione [French] [ACD/IUPAC Name]
2-Oxaspiro[4.5]dec-8-ene-1,4,7-trione, 6-hydroxy-10-methyl-3-methylene-, (5R,6S,10R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503647/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 512.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 208.7±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 51.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 40.90
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.87
Polar Surface Area: 81 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 158.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement