3-tert-butyl 4-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate

• ChemBase ID: 281250
• Molecular Formular: C13H23NO5
• Molecular Mass: 273.32542
• Monoisotopic Mass: 273.15762284
• SMILES: N1(C(=O)OC(C)(C)C)C(OC(C1C(=O)OC)C)(C)C
• Canonical SMILES: COC(=O)C1C(C)OC(N1C(=O)OC(C)(C)C)(C)C
• InChI: InChI=1S/C13H23NO5/c1-8-9(10(15)17-7)14(13(5,6)18-8)11(16)19-12(2,3)4/h8-9H,1-7H3
• InChIKey: FRSJJRXFHYGDSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-tert-butyl 4-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
• IUPAC Traditional name: 3-tert-butyl 4-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
• Synonyms: 3-tert-butyl 4-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate

Database IDs

• MDL Number: MFCD11099964
• PubChem SID: 180666781
• PubChem CID: 43810963

CALCULATED PROPERTIES

• Log P: 1.7119193
• Molar Refractivity: 68.4544 cm^3
• Polarizability: 27.389286 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7119193
• LogD (pH = 7.4): 1.7119193

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.374

Product Information

• Purity: 95%