3-(oxolan-2-ylmethoxy)azetidine

• ChemBase ID: 45993
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: N1CC(OCC2OCCC2)C1
• Canonical SMILES: C1COC(C1)COC1CNC1
• InChI: InChI=1S/C8H15NO2/c1-2-7(10-3-1)6-11-8-4-9-5-8/h7-9H,1-6H2
• InChIKey: ZCCSMDFZRIFWOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxolan-2-ylmethoxy)azetidine
• IUPAC Traditional name: 3-(oxolan-2-ylmethoxy)azetidine
• Synonyms: 3-(Tetrahydro-2-furanylmethoxy)azetidine

Database IDs

• MDL Number: MFCD13559926
• PubChem SID: 162050756
• PubChem CID: 53409371

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8882456
• LogD (pH = 7.4): -1.3158306
• Log P: 0.06697717
• Molar Refractivity: 41.6928 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 256°C
• Density: 1.083
• Refractive Index: 1.492

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false