7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 247605
• Molecular Formular: C9H14N2O3
• Molecular Mass: 198.21906
• Monoisotopic Mass: 198.10044232
• SMILES: N1C(=O)NC2(C1=O)CC(OCC2)(C)C
• Canonical SMILES: O=C1NC(=O)C2(N1)CCOC(C2)(C)C
• InChI: InChI=1S/C9H14N2O3/c1-8(2)5-9(3-4-14-8)6(12)10-7(13)11-9/h3-5H2,1-2H3,(H2,10,11,12,13)
• InChIKey: BTCYPUHMTLRQKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD19652691
• PubChem SID: 164303515
• PubChem CID: 12219532

CALCULATED PROPERTIES

• Acid pKa: 9.593264
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5637702
• LogD (pH = 7.4): -0.56647795
• Log P: -0.56373554
• Molar Refractivity: 48.6184 cm^3
• Polarizability: 19.056255 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.061

Product Information

• Purity: 95%