6-tert-butyl 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate

• ChemBase ID: 51777
• Molecular Formular: C15H25NO4
• Molecular Mass: 283.3633
• Monoisotopic Mass: 283.17835829
• SMILES: C12(C(C1)C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC2
• Canonical SMILES: CCOC(=O)C1CC21CCN(CC2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C15H25NO4/c1-5-19-12(17)11-10-15(11)6-8-16(9-7-15)13(18)20-14(2,3)4/h11H,5-10H2,1-4H3
• InChIKey: MWXOEHQQUHBXTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-tert-butyl 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate
• IUPAC Traditional name: 6-tert-butyl 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate
• Synonyms: 6-(tert-Butyl) 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate; Ethyl 6-azaspiro[2.5]octane-1-carboxylate, N-BOC protected 95+%; 6-(tert-Butyl) 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate

Database IDs

• MDL Number: MFCD16622771
• PubChem SID: 162056540
• PubChem CID: 49757452

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7894676
• LogD (pH = 7.4): 1.7894676
• Log P: 1.7894676
• Molar Refractivity: 74.8096 cm^3
• Polarizability: 29.603575 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%