3-(pentyloxy)azetidine

• ChemBase ID: 45974
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CC(C1)OCCCCC
• Canonical SMILES: CCCCCOC1CNC1
• InChI: InChI=1S/C8H17NO/c1-2-3-4-5-10-8-6-9-7-8/h8-9H,2-7H2,1H3
• InChIKey: REUQEQNBHSQJJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pentyloxy)azetidine
• IUPAC Traditional name: 3-(pentyloxy)azetidine
• Synonyms: 3-(Pentyloxy)azetidine

Database IDs

• MDL Number: MFCD13559921
• PubChem SID: 162050737
• PubChem CID: 53409361

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5384597
• LogD (pH = 7.4): 0.033866744
• Log P: 1.4168558
• Molar Refractivity: 41.9127 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false