spiro[4.5]decane-1,4-dione

• ChemBase ID: 129601
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: O=C1CCC(=O)C21CCCCC2
• Canonical SMILES: O=C1CCC(=O)C21CCCCC2
• InChI: InChI=1S/C10H14O2/c11-8-4-5-9(12)10(8)6-2-1-3-7-10/h1-7H2
• InChIKey: QMNFMSMVFOZHBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[4.5]decane-1,4-dione
• IUPAC Traditional name: spirodecanedione
• Synonyms: Spirodecanedione

Database IDs

• PubChem SID: 162223891
• PubChem CID: 10899053
• Chemspider ID: 9074313
• Wikipedia Title: Spirodecanedione

CALCULATED PROPERTIES

• Acid pKa: 16.30502
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3453228
• LogD (pH = 7.4): 2.3453228
• Log P: 2.3453228
• Molar Refractivity: 45.4159 cm^3
• Polarizability: 17.841835 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true