8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 251084
• Molecular Formular: C12H20N2O2
• Molecular Mass: 224.2994
• Monoisotopic Mass: 224.15247789
• SMILES: N1C(=O)NC2(C1=O)CCC(C(C)(C)C)CC2
• Canonical SMILES: CC(C1CCC2(CC1)NC(=O)NC2=O)(C)C
• InChI: InChI=1S/C12H20N2O2/c1-11(2,3)8-4-6-12(7-5-8)9(15)13-10(16)14-12/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
• InChIKey: RQUKBTLNDXLLEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD03960521
• PubChem SID: 164306994
• PubChem CID: 2374182

CALCULATED PROPERTIES

• Acid pKa: 10.194155
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8958426
• LogD (pH = 7.4): 1.8951621
• Log P: 1.8958511
• Molar Refractivity: 60.2734 cm^3
• Polarizability: 23.809662 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.146

Product Information

• Purity: 95%