3-(cyclobutylmethoxy)azetidine

• ChemBase ID: 46109
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1CC(OCC2CCC2)C1
• Canonical SMILES: C1CC(C1)COC1CNC1
• InChI: InChI=1S/C8H15NO/c1-2-7(3-1)6-10-8-4-9-5-8/h7-9H,1-6H2
• InChIKey: XMBUSTVGQRGXFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclobutylmethoxy)azetidine
• IUPAC Traditional name: 3-(cyclobutylmethoxy)azetidine
• Synonyms: 3-(Cyclobutylmethoxy)azetidine

Database IDs

• MDL Number: MFCD13559996
• PubChem SID: 162050872
• PubChem CID: 53409346

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0817714
• LogD (pH = 7.4): -0.50943565
• Log P: 0.8735341
• Molar Refractivity: 39.9811 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false