1,9-dioxa-4-azaspiro[5.5]undecane

• ChemBase ID: 240325
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C12(OCCNC2)CCOCC1
• Canonical SMILES: C1COC2(CN1)CCOCC2
• InChI: InChI=1S/C8H15NO2/c1-4-10-5-2-8(1)7-9-3-6-11-8/h9H,1-7H2
• InChIKey: NUVBZLOENHPIPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,9-dioxa-4-azaspiro[5.5]undecane
• IUPAC Traditional name: 1,9-dioxa-4-azaspiro[5.5]undecane
• Synonyms: 1,9-dioxa-4-azaspiro[5.5]undecane

Database IDs

• MDL Number: MFCD21126954
• PubChem SID: 164296235
• PubChem CID: 65122347

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4825513
• LogD (pH = 7.4): -1.9110047
• Log P: -0.5264241
• Molar Refractivity: 42.133 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.816

Product Information

• Purity: 95%