2,5-dioxa-8-azaspiro[3.5]nonane

• ChemBase ID: 799659
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C1OCC21OCCNC2
• Canonical SMILES: C1COC2(CN1)COC2
• InChI: InChI=1S/C6H11NO2/c1-2-9-6(3-7-1)4-8-5-6/h7H,1-5H2
• InChIKey: IOSOHRRBMBVUNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxa-8-azaspiro[3.5]nonane
• IUPAC Traditional name: 2,5-dioxa-8-azaspiro[3.5]nonane
• Synonyms: 2,5-dioxa-8-azaspiro[3.5]nonane

Database IDs

• CAS Number: 1184185-17-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.381121
• LogD (pH = 7.4): -1.6814231
• Log P: -0.6463436
• Molar Refractivity: 32.4022 cm^3
• Polarizability: 13.259674 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%