7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

• ChemBase ID: 117070
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1(OCC2(CO1)CNC2)(C)C
• Canonical SMILES: CC1(C)OCC2(CO1)CNC2
• InChI: InChI=1S/C8H15NO2/c1-7(2)10-5-8(6-11-7)3-9-4-8/h9H,3-6H2,1-2H3
• InChIKey: XPJFNPHFUUEMJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
• IUPAC Traditional name: 7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
• Synonyms: 7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

Database IDs

• MDL Number: MFCD21091996
• PubChem SID: 162102245
• PubChem CID: 52903796

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3984644
• LogD (pH = 7.4): -2.5457988
• Log P: -0.19188623
• Molar Refractivity: 42.1055 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

• Partition Coefficient: 0.687

Product Information

• Purity: 95+%