3,3-dimethylmorpholin-2-one

• ChemBase ID: 235500
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C1(=O)C(NCCO1)(C)C
• Canonical SMILES: O=C1OCCNC1(C)C
• InChI: InChI=1S/C6H11NO2/c1-6(2)5(8)9-4-3-7-6/h7H,3-4H2,1-2H3
• InChIKey: RUGSRSYEULHSDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylmorpholin-2-one
• IUPAC Traditional name: 3,3-dimethylmorpholin-2-one
• Synonyms: 3,3-dimethylmorpholin-2-one

Database IDs

• MDL Number: MFCD09722827
• PubChem SID: 164291410
• PubChem CID: 22689056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.0054083997
• LogD (pH = 7.4): 0.2563967
• Log P: 0.2610041
• Molar Refractivity: 32.7853 cm^3
• Polarizability: 13.364334 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.33

Product Information

• Purity: 95%