7-oxa-1-azaspiro[3.6]decane

• ChemBase ID: 236149
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1C2(CC1)CCOCCC2
• Canonical SMILES: O1CCCC2(CC1)CCN2
• InChI: InChI=1S/C8H15NO/c1-2-8(3-5-9-8)4-7-10-6-1/h9H,1-7H2
• InChIKey: JIVHIXXERIBFJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-oxa-1-azaspiro[3.6]decane
• IUPAC Traditional name: 7-oxa-1-azaspiro[3.6]decane
• Synonyms: 7-oxa-1-azaspiro[3.6]decane

Database IDs

• MDL Number: MFCD14581257
• PubChem SID: 164292059
• PubChem CID: 55279890

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1408303
• LogD (pH = 7.4): -2.9376214
• Log P: 0.09787381
• Molar Refractivity: 40.5995 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): -0.032

Product Information

• Purity: 95%