4-tert-butyl 2-methyl morpholine-2,4-dicarboxylate

• ChemBase ID: 289905
• Molecular Formular: C11H19NO5
• Molecular Mass: 245.27226
• Monoisotopic Mass: 245.12632271
• SMILES: O=C(C1CN(C(=O)OC(C)(C)C)CCO1)OC
• Canonical SMILES: COC(=O)C1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H19NO5/c1-11(2,3)17-10(14)12-5-6-16-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3
• InChIKey: RZIYWKZWSSFEFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butyl 2-methyl morpholine-2,4-dicarboxylate
• IUPAC Traditional name: 4-tert-butyl 2-methyl morpholine-2,4-dicarboxylate
• Synonyms: 4-tert-Butyl 2-methyl morpholine-2,4-dicarboxylate

Database IDs

• CAS Number: 500789-41-3
• MDL Number: MFCD16877230
• PubChem SID: 180675436
• PubChem CID: 58817474

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7076478
• LogD (pH = 7.4): 0.7076478
• Log P: 0.7076478
• Molar Refractivity: 59.362 cm^3
• Polarizability: 23.740608 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%