spiro[4.5]decane-7,9-dione

• ChemBase ID: 797845
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: C1CCCC21CC(=O)CC(=O)C2
• Canonical SMILES: O=C1CC(=O)CC2(C1)CCCC2
• InChI: InChI=1S/C10H14O2/c11-8-5-9(12)7-10(6-8)3-1-2-4-10/h1-7H2
• InChIKey: OSKDRFHEYJSVBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[4.5]decane-7,9-dione
• IUPAC Traditional name: spiro[4.5]decane-7,9-dione
• Synonyms: Spiro[4.5]decane-7,9-dione

Database IDs

• CAS Number: 82683-51-0

CALCULATED PROPERTIES

• Acid pKa: 7.5317206
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8293728
• LogD (pH = 7.4): 1.5934539
• Log P: 1.8333886
• Molar Refractivity: 45.3641 cm^3
• Polarizability: 17.841835 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%