3-methoxy-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 309925
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C12(OCC(C1)OC)CCNCC2
• Canonical SMILES: COC1COC2(C1)CCNCC2
• InChI: InChI=1S/C9H17NO2/c1-11-8-6-9(12-7-8)2-4-10-5-3-9/h8,10H,2-7H2,1H3
• InChIKey: HMSDPOGJWMJTBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 3-methoxy-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 3-methoxy-1-oxa-8-azaspiro[4.5]decane

Database IDs

• MDL Number: MFCD21364400

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6259496
• LogD (pH = 7.4): -2.9272985
• Log P: -0.4066973
• Molar Refractivity: 46.6686 cm^3
• Polarizability: 18.76417 Å^3
• Polar Surface Area: 30.49 Å^2