1-oxa-4-azaspiro[5.6]dodecane

• ChemBase ID: 239108
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: C12(OCCNC1)CCCCCC2
• Canonical SMILES: C1CCCC2(CC1)CNCCO2
• InChI: InChI=1S/C10H19NO/c1-2-4-6-10(5-3-1)9-11-7-8-12-10/h11H,1-9H2
• InChIKey: YCEZDVSPKFOQAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxa-4-azaspiro[5.6]dodecane
• IUPAC Traditional name: 1-oxa-4-azaspiro[5.6]dodecane
• Synonyms: 1-oxa-4-azaspiro[5.6]dodecane

Database IDs

• MDL Number: MFCD16684054
• PubChem SID: 164295018
• PubChem CID: 62110429

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2034214
• LogD (pH = 7.4): 0.364702
• Log P: 1.756229
• Molar Refractivity: 49.2727 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.142

Product Information

• Purity: 95%