ChemSpider 2D Image | Methyl 5'-hydroxy-5,5-dimethyl-3',3a',6',6a'-tetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-4'-carboxylate | C15H22O5

Methyl 5'-hydroxy-5,5-dimethyl-3',3a',6',6a'-tetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-4'-carboxylate

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID30774443

More details:






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

5'-Hydroxy-5,5-diméthyl-3',3a',6',6a'-tétrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-4'-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5'-hydroxy-5,5-dimethyl-3',3a',6',6a'-tetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-4'-carboxylate [ACD/IUPAC Name]
Methyl-5'-hydroxy-5,5-dimethyl-3',3a',6',6a'-tetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-4'-carboxylat [German] [ACD/IUPAC Name]
Spiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'-carboxylic acid, 3',3'a,6',6'a-tetrahydro-5'-hydroxy-5,5-dimethyl-, methyl ester [ACD/Index Name]
105448-66-6 [RN]
methyl 2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-3a,4,6,6a-tetrahydro-3H-pentalene]-1'-carboxylate
Methyl 5'-hydroxy-5,5-dimethyl-3',3a',4',6a'-tetrahydro-1'H-spiro[[1,3]dioxane-2,2'-pentalene]-6'-carboxylate
Methyl 5'-hydroxy-5,5-dimethyl-3',3'a,4',6'a-tetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-6'-carboxylate
MFCD27957337 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 398.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.1±6.0 kJ/mol
Flash Point: 143.8±21.4 °C
Index of Refraction: 1.542
Molar Refractivity: 71.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 22.70
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 227.8±5.0 cm3

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