3-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 281291
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: N1CCC2(CC1)CCOCC2
• Canonical SMILES: N1CCC2(CC1)CCOCC2
• InChI: InChI=1S/C9H17NO/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10H,1-8H2
• InChIKey: NJGVTIXCHOYDJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 3-oxa-9-azaspiro[5.5]undecane
• Synonyms: 3-oxa-9-azaspiro[5.5]undecane

Database IDs

• CAS Number: 311-21-7
• MDL Number: MFCD11505644
• PubChem SID: 180666822
• PubChem CID: 39871984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8089035
• LogD (pH = 7.4): -2.3356395
• Log P: 0.42203754
• Molar Refractivity: 45.4084 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.527

Product Information

• Purity: 95%