tert-butyl 1,8-dioxa-4,11-diazaspiro[5.6]dodecane-11-carboxylate

• ChemBase ID: 309227
• Molecular Formular: C13H24N2O4
• Molecular Mass: 272.34066
• Monoisotopic Mass: 272.17360726
• SMILES: C(=O)(N1CC2(OCCNC2)COCC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCOCC2(C1)CNCCO2)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-5-7-17-10-13(9-15)8-14-4-6-18-13/h14H,4-10H2,1-3H3
• InChIKey: MHCIEKBNVVEZOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1,8-dioxa-4,11-diazaspiro[5.6]dodecane-11-carboxylate
• IUPAC Traditional name: tert-butyl 1,8-dioxa-4,11-diazaspiro[5.6]dodecane-11-carboxylate
• Synonyms: tert-butyl 1,8-dioxa-4,11-diazaspiro[5.6]dodecane-11-carboxylate

Database IDs

• CAS Number: 1251010-99-7
• MDL Number: MFCD14581088

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4007697
• LogD (pH = 7.4): -0.6849595
• Log P: 0.27244607
• Molar Refractivity: 70.1217 cm^3
• Polarizability: 28.08017 Å^3
• Polar Surface Area: 60.03 Å^2