6,10-dioxaspiro[4.5]decane-7,9-dione

• ChemBase ID: 120605
• Molecular Formular: C8H10O4
• Molecular Mass: 170.1626
• Monoisotopic Mass: 170.0579088
• SMILES: C12(OC(=O)CC(=O)O1)CCCC2
• Canonical SMILES: O=C1CC(=O)OC2(O1)CCCC2
• InChI: InChI=1S/C8H10O4/c9-6-5-7(10)12-8(11-6)3-1-2-4-8/h1-5H2
• InChIKey: FZGZIHCGKPRSLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,10-dioxaspiro[4.5]decane-7,9-dione
• IUPAC Traditional name: 6,10-dioxaspiro[4.5]decane-7,9-dione
• Synonyms: 6,10-dioxaspiro[4.5]decane-7,9-dione

Database IDs

• PubChem SID: 162214958
• PubChem CID: 2771934

CALCULATED PROPERTIES

• Acid pKa: 10.625203
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1868596
• LogD (pH = 7.4): 1.1866045
• Log P: 1.1868628
• Molar Refractivity: 38.366 cm^3
• Polarizability: 15.661688 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true