tert-butyl 3-(methoxymethyl)azetidine-1-carboxylate

• ChemBase ID: 290920
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: O=C(N1CC(COC)C1)OC(C)(C)C
• Canonical SMILES: COCC1CN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-5-8(6-11)7-13-4/h8H,5-7H2,1-4H3
• InChIKey: KVZWHTCHJHENKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(methoxymethyl)azetidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(methoxymethyl)azetidine-1-carboxylate
• Synonyms: tert-Butyl 3-(methoxymethyl)azetidine-1-carboxylate

Database IDs

• CAS Number: 942308-05-6
• PubChem SID: 180676451
• PubChem CID: 66570673

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9256
• LogD (pH = 7.4): 0.9256
• Log P: 0.9256
• Molar Refractivity: 53.3204 cm^3
• Polarizability: 21.043314 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%