ChemSpider 2D Image | Methyl (4a'S,5'S,8a'S)-8a'-methyl-6'-oxooctahydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-5'-carboxylate | C15H22O5

Methyl (4a'S,5'S,8a'S)-8a'-methyl-6'-oxooctahydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-5'-carboxylate

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID74160760

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4a'S,5'S,8a'S)-8a'-Méthyl-6'-oxooctahydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-5'-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (4a'S,5'S,8a'S)-8a'-methyl-6'-oxooctahydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-5'-carboxylate [ACD/IUPAC Name]
Methyl-(4a'S,5'S,8a'S)-8a'-methyl-6'-oxooctahydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-5'-carboxylat [German] [ACD/IUPAC Name]
Spiro[1,3-dioxolane-2,1'(2'H)-naphthalene]-5'-carboxylic acid, octahydro-8'a-methyl-6'-oxo-, methyl ester, (4a'S,5'S,8a'S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 391.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 201.8±15.9 °C
Index of Refraction: 1.516
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.89
ACD/KOC (pH 5.5): 228.82
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.89
ACD/KOC (pH 7.4): 228.80
Polar Surface Area: 62 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 234.3±5.0 cm3

Click to predict properties on the Chemicalize site


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