tert-butyl 1-oxa-5-azaspiro[2.5]octane-5-carboxylate

• ChemBase ID: 67207
• Molecular Formular: C11H19NO3
• Molecular Mass: 213.27346
• Monoisotopic Mass: 213.13649347
• SMILES: O1CC21CN(CCC2)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC2(C1)CO2)OC(C)(C)C
• InChI: InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-5-11(7-12)8-14-11/h4-8H2,1-3H3
• InChIKey: RZXGVMMKJKHHAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1-oxa-5-azaspiro[2.5]octane-5-carboxylate
• IUPAC Traditional name: tert-butyl 1-oxa-5-azaspiro[2.5]octane-5-carboxylate
• Synonyms: tert-Butyl 1-oxa-5-azaspiro[2,5]octane-5-carboxylate; tert-Butyl 1-oxa-5-azaspiro-[2,5]octane-5-carboxylate

Database IDs

• CAS Number: 276872-90-3
• MDL Number: MFCD07779386
• PubChem SID: 162032943
• PubChem CID: 23509699

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2611474
• LogD (pH = 7.4): 1.2611474
• Log P: 1.2611474
• Molar Refractivity: 55.8638 cm^3
• Polarizability: 22.159397 Å^3
• Polar Surface Area: 42.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%