ChemSpider 2D Image | 5,5-Dimethyltetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalen]-5'(3'H)-one | C13H20O3

5,5-Dimethyltetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalen]-5'(3'H)-one

  • Molecular FormulaC13H20O3
  • Average mass224.296 Da
  • Monoisotopic mass224.141251 Da
  • ChemSpider ID14480232

More details:

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

5,5-Dimethyltetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalen]-5'(3'H)-on [German] [ACD/IUPAC Name]
5,5-Dimethyltetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalen]-5'(3'H)-one [ACD/IUPAC Name]
5,5-Diméthyltétrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalen]-5'(3'H)-one [French] [ACD/IUPAC Name]
Spiro[1,3-dioxane-2,2'(1'H)-pentalen]-5'(3'H)-one, tetrahydro-5,5-dimethyl- [ACD/Index Name]
112755-94-9 [RN]
5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalen]-5'-one
5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-one
5,5-Dimethyl-hexahydro-1'H-spiro-[1,3-dioxane-2,2'-pentalene]-5'-one
5,5-dimethyl-hexahydrospiro[1,3-dioxane-2,2'-pentalen]-5'-one
5,5-Dimethyl-hexahydrospiro[1,3-dioxane-2,2'-pentalene]-5'-one
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 331.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 145.2±14.3 °C
Index of Refraction: 1.513
Molar Refractivity: 59.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.80
ACD/KOC (pH 5.5): 151.49
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 151.49
Polar Surface Area: 36 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 198.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement