ethyl 2-ethoxybutanoate

• ChemBase ID: 107475
• Molecular Formular: C8H16O3
• Molecular Mass: 160.21084
• Monoisotopic Mass: 160.10994437
• SMILES: CCOC(CC)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(OCC)CC
• InChI: InChI=1S/C8H16O3/c1-4-7(10-5-2)8(9)11-6-3/h7H,4-6H2,1-3H3
• InChIKey: SNIDNGPTLWWCLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethoxybutanoate
• IUPAC Traditional name: ethyl 2-ethoxybutanoate
• Synonyms: ETHYL α-ETHOXYBUTYRATE

Database IDs

• PubChem SID: 162106081
• PubChem CID: 22028208

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5533293
• LogD (pH = 7.4): 1.5533293
• Log P: 1.5533293
• Molar Refractivity: 42.3813 cm^3
• Polarizability: 16.941893 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true