6-oxa-9-azaspiro[4.5]decane

• ChemBase ID: 239431
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C12(OCCNC1)CCCC2
• Canonical SMILES: C1COC2(CN1)CCCC2
• InChI: InChI=1S/C8H15NO/c1-2-4-8(3-1)7-9-5-6-10-8/h9H,1-7H2
• InChIKey: FTGUMOQCPJEKOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 130643-07-1
• MDL Number: MFCD09971189
• PubChem SID: 164295341
• PubChem CID: 22417172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0925586
• LogD (pH = 7.4): -0.52443534
• 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%