8-oxa-5-azaspiro[3.5]nonane

• ChemBase ID: 241755
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: N1C2(COCC1)CCC2
• Canonical SMILES: C1CNC2(CO1)CCC2
• InChI: InChI=1S/C7H13NO/c1-2-7(3-1)6-9-5-4-8-7/h8H,1-6H2
• InChIKey: QJWGZYJFBDSKHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-oxa-5-azaspiro[3.5]nonane
• IUPAC Traditional name: 8-oxa-5-azaspiro[3.5]nonane
• Synonyms: 8-oxa-5-azaspiro[3.5]nonane

Database IDs

• MDL Number: MFCD17170792
• PubChem SID: 164297665
• PubChem CID: 55298924

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4153693
• LogD (pH = 7.4): -0.7583443
• Log P: 0.422523
• Molar Refractivity: 35.4697 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.465

Product Information

• Purity: 95%