1-oxa-8-azaspiro[4.6]undecane

• ChemBase ID: 309510
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C12(OCCC2)CCNCCC1
• Canonical SMILES: N1CCCC2(CC1)CCCO2
• InChI: InChI=1S/C9H17NO/c1-3-9(4-2-8-11-9)5-7-10-6-1/h10H,1-8H2
• InChIKey: LKODXJQTMSYTAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxa-8-azaspiro[4.6]undecane
• IUPAC Traditional name: 1-oxa-8-azaspiro[4.6]undecane
• Synonyms: 1-oxa-8-azaspiro[4.6]undecane

Database IDs

• MDL Number: MFCD23131218

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.617739
• LogD (pH = 7.4): -2.2002249
• Log P: 0.61523646
• Molar Refractivity: 45.2441 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2