1,4-dioxa-8-azaspiro[4.6]undecane

• ChemBase ID: 309176
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C12(OCCO1)CCNCCC2
• Canonical SMILES: N1CCCC2(CC1)OCCO2
• InChI: InChI=1S/C8H15NO2/c1-2-8(3-5-9-4-1)10-6-7-11-8/h9H,1-7H2
• InChIKey: FBZXTZIKSOUPGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxa-8-azaspiro[4.6]undecane
• IUPAC Traditional name: 1,4-dioxa-8-azaspiro[4.6]undecane
• Synonyms: 1,4-dioxa-8-azaspiro[4.6]undecane

Database IDs

• CAS Number: 16803-07-9
• MDL Number: MFCD11870222

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6778572
• LogD (pH = 7.4): -2.115908
• Log P: 0.54922974
• Molar Refractivity: 41.7598 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 30.49 Å^2