3-[2-(prop-2-en-1-yloxy)ethoxy]azetidine

• ChemBase ID: 45994
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: N1CC(C1)OCCOCC=C
• Canonical SMILES: C=CCOCCOC1CNC1
• InChI: InChI=1S/C8H15NO2/c1-2-3-10-4-5-11-8-6-9-7-8/h2,8-9H,1,3-7H2
• InChIKey: ZQTKSPGAPJYQSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(prop-2-en-1-yloxy)ethoxy]azetidine
• IUPAC Traditional name: 3-[2-(prop-2-en-1-yloxy)ethoxy]azetidine
• Synonyms: 3-[2-(Allyloxy)ethoxy]azetidine

Database IDs

• MDL Number: MFCD13559927
• PubChem SID: 162050757
• PubChem CID: 53409510

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.622571
• LogD (pH = 7.4): -1.050166
• Log P: 0.33266246
• Molar Refractivity: 43.6443 cm^3
• Polarizability: 17.406002 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false