3,3,5,5-tetramethylmorpholin-2-one

• ChemBase ID: 58245
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: N1C(C(=O)OCC1(C)C)(C)C
• Canonical SMILES: O=C1OCC(NC1(C)C)(C)C
• InChI: InChI=1S/C8H15NO2/c1-7(2)5-11-6(10)8(3,4)9-7/h9H,5H2,1-4H3
• InChIKey: BCBKUYDNRBNODE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,5,5-tetramethylmorpholin-2-one
• IUPAC Traditional name: 3,3,5,5-tetramethylmorpholin-2-one
• Synonyms: 3,3,5,5-Tetramethylmorpholin-2-one

Database IDs

• MDL Number: MFCD09722829
• PubChem SID: 162063008
• PubChem CID: 13131203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5933727
• LogD (pH = 7.4): 0.951013
• Log P: 0.95815575
• Molar Refractivity: 41.8423 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false