3-(ethoxymethyl)pyrrolidine

• ChemBase ID: 286088
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CC(COCC)CC1
• Canonical SMILES: CCOCC1CNCC1
• InChI: InChI=1S/C7H15NO/c1-2-9-6-7-3-4-8-5-7/h7-8H,2-6H2,1H3
• InChIKey: CLFFPDBFVAWYJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethoxymethyl)pyrrolidine
• IUPAC Traditional name: 3-(ethoxymethyl)pyrrolidine
• Synonyms: 3-(ethoxymethyl)pyrrolidine

Database IDs

• MDL Number: MFCD08687713
• PubChem SID: 180671619
• PubChem CID: 45075569

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0577736
• LogD (pH = 7.4): -2.951164
• Log P: 0.18270439
• Molar Refractivity: 38.0357 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.013

Product Information

• Purity: 95%