9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane

• ChemBase ID: 240774
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C12(C(CNC2)CC)OCCO1
• Canonical SMILES: CCC1CNCC21OCCO2
• InChI: InChI=1S/C8H15NO2/c1-2-7-5-9-6-8(7)10-3-4-11-8/h7,9H,2-6H2,1H3
• InChIKey: WAOSQYAZHHWOTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane
• IUPAC Traditional name: 9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane
• Synonyms: 9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane

Database IDs

• MDL Number: MFCD22392215
• PubChem SID: 164296684
• PubChem CID: 71756628

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1855197
• LogD (pH = 7.4): -1.3158233
• Log P: 1.0193293
• Molar Refractivity: 41.3636 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.491

Product Information

• Purity: 95%