2-oxa-8-azaspiro[4.5]decane; oxalic acid

• ChemBase ID: 289503
• Molecular Formular: C10H17NO5
• Molecular Mass: 231.24568
• Monoisotopic Mass: 231.11067265
• SMILES: O=C(O)C(=O)O.C1OCCC21CCNCC2
• Canonical SMILES: N1CCC2(CC1)COCC2.OC(=O)C(=O)O
• InChI: InChI=1S/C8H15NO.C2H2O4/c1-4-9-5-2-8(1)3-6-10-7-8;3-1(4)2(5)6/h9H,1-7H2;(H,3,4)(H,5,6)
• InChIKey: XLWWMFHNLPANMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxa-8-azaspiro[4.5]decane; oxalic acid
• IUPAC Traditional name: 2-oxa-8-azaspiro[4.5]decane; oxalic acid
• Synonyms: 2-Oxa-8-azaspiro[4.5]decane oxalate

Database IDs

• PubChem SID: 180675034
• PubChem CID: 71464355

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0973895
• LogD (pH = 7.4): -2.6196525
• Log P: 0.13337635
• Molar Refractivity: 40.6534 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%