1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 309514
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C12(OCCC2)CCNCC1
• Canonical SMILES: N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C8H15NO/c1-2-8(10-7-1)3-5-9-6-4-8/h9H,1-7H2
• InChIKey: KVYOWXUQJLOCIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 1-oxa-8-azaspiro[4.5]decane
• Synonyms: 1-oxa-8-azaspiro[4.5]decane

Database IDs

• CAS Number: 176-92-1
• MDL Number: MFCD11035889

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1213858
• LogD (pH = 7.4): -2.422842
• 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

Product Information

• Purity: 97%