ethyl 2,2,2-triethoxyacetate

• ChemBase ID: 260792
• Molecular Formular: C10H20O5
• Molecular Mass: 220.2628
• Monoisotopic Mass: 220.13107374
• SMILES: C(C(=O)OCC)(OCC)(OCC)OCC
• Canonical SMILES: CCOC(=O)C(OCC)(OCC)OCC
• InChI: InChI=1S/C10H20O5/c1-5-12-9(11)10(13-6-2,14-7-3)15-8-4/h5-8H2,1-4H3
• InChIKey: JWQIAVCJLYNXLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,2,2-triethoxyacetate
• IUPAC Traditional name: ethyl 2,2,2-triethoxyacetate
• Synonyms: ethyl 2,2,2-triethoxyacetate; ETHYL TRIETHOXYACETATE

Database IDs

• CAS Number: 57267-03-5
• MDL Number: MFCD00449653
• PubChem SID: 164316702
• PubChem CID: 5090273

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0203097
• LogD (pH = 7.4): 2.0203097
• Log P: 2.0203097
• Molar Refractivity: 55.8929 cm^3
• Polarizability: 22.067764 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.158

Product Information

• Purity: 95%; 95+%; 98%