7-oxa-1-azaspiro[3.5]nonane

• ChemBase ID: 286411
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C12(NCC1)CCOCC2
• Canonical SMILES: O1CCC2(CC1)CCN2
• InChI: InChI=1S/C7H13NO/c1-4-8-7(1)2-5-9-6-3-7/h8H,1-6H2
• InChIKey: YRTSMAAUDAWPSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-oxa-1-azaspiro[3.5]nonane
• IUPAC Traditional name: 7-oxa-1-azaspiro[3.5]nonane
• Synonyms: 7-oxa-1-azaspiro[3.5]nonane

Database IDs

• MDL Number: MFCD14581251
• PubChem SID: 180671942
• PubChem CID: 55279771

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6567767
• LogD (pH = 7.4): -3.3896437
• Log P: -0.41948888
• Molar Refractivity: 35.9549 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): -0.591

Product Information

• Purity: 95%