9-oxa-6-azaspiro[4.5]decane

• ChemBase ID: 244907
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1C2(COCC1)CCCC2
• Canonical SMILES: C1CNC2(CO1)CCCC2
• InChI: InChI=1S/C8H15NO/c1-2-4-8(3-1)7-10-6-5-9-8/h9H,1-7H2
• InChIKey: BEAXLFRGOMHRHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-oxa-6-azaspiro[4.5]decane
• IUPAC Traditional name: 9-oxa-6-azaspiro[4.5]decane
• Synonyms: 9-oxa-6-azaspiro[4.5]decane

Database IDs

• MDL Number: MFCD09722913
• PubChem SID: 164300817
• PubChem CID: 17803875

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1204848
• LogD (pH = 7.4): -0.58193016
• Log P: 0.86709166
• Molar Refractivity: 40.0707 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.024

Product Information

• Purity: 95%