methyl 2-ethoxyacetate

• ChemBase ID: 273646
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: C(=O)(OC)COCC
• Canonical SMILES: CCOCC(=O)OC
• InChI: InChI=1S/C5H10O3/c1-3-8-4-5(6)7-2/h3-4H2,1-2H3
• InChIKey: PPFNAOBWGRMDLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-ethoxyacetate
• IUPAC Traditional name: methyl 2-ethoxyacetate
• Synonyms: methyl 2-ethoxyacetate

Database IDs

• MDL Number: MFCD11173935
• PubChem SID: 164329556
• PubChem CID: 325385

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.10523476
• LogD (pH = 7.4): 0.10523476
• Log P: 0.10523476
• Molar Refractivity: 28.6148 cm^3
• Polarizability: 11.458225 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.346

Product Information

• Purity: 95%