3-[(2-methoxyethoxy)methyl]pyrrolidine

• ChemBase ID: 284095
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1CC(COCCOC)CC1
• Canonical SMILES: COCCOCC1CNCC1
• InChI: InChI=1S/C8H17NO2/c1-10-4-5-11-7-8-2-3-9-6-8/h8-9H,2-7H2,1H3
• InChIKey: OYMPLWUGFWDEPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methoxyethoxy)methyl]pyrrolidine
• IUPAC Traditional name: 3-[(2-methoxyethoxy)methyl]pyrrolidine
• Synonyms: 3-[(2-methoxyethoxy)methyl]pyrrolidine

Database IDs

• MDL Number: MFCD16747542
• PubChem SID: 180669626
• PubChem CID: 54595863

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.461557
• LogD (pH = 7.4): -3.3549473
• Log P: -0.22107907
• Molar Refractivity: 44.3306 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.512

Product Information

• Purity: 95%