8-hydroxy-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 178470
• Molecular Formular: C11H19N3O3
• Molecular Mass: 241.28686
• Monoisotopic Mass: 241.14264148
• SMILES: C1C(N(C(CC21NC(=O)NC2=O)(C)C)O)(C)C
• Canonical SMILES: ON1C(C)(C)CC2(CC1(C)C)NC(=O)NC2=O
• InChI: InChI=1S/C11H19N3O3/c1-9(2)5-11(6-10(3,4)14(9)17)7(15)12-8(16)13-11/h17H,5-6H2,1-4H3,(H2,12,13,15,16)
• InChIKey: PRABPDAMBAUXCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxy-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-hydroxy-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 7,7,9,9-Tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-8-yloxy; 1,3,8-Triaza-7,7,9,9-tetramethyl-2,4-dioxospiro[4.5]decane-8-oxyl; rac-2,2,6,6-Tetramethylpiperidine-N-oxyl-4, 4-(5-spirohydantoin)

Database IDs

• CAS Number: 15871-56-4
• PubChem SID: 164234380
• PubChem CID: 21301545

CALCULATED PROPERTIES

• Acid pKa: 9.595828
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.56661433
• LogD (pH = 7.4): -0.56859493
• Log P: -0.5658595
• Molar Refractivity: 61.1209 cm^3
• Polarizability: 24.166174 Å^3
• Polar Surface Area: 81.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; Methanol
• Apperance: Yellow Solid
• Melting Point: 251-255°C (dec.)