Ethyl 3-ethoxyisobutyrate
TL;DR: Ethyl 3-ethoxyisobutyrate (CAS 19758-19-1) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-ethoxy-2-methylpropanoate
Also Known As: Ethyl 3-ethoxyisobutyrate, ethyl 3-ethoxy-2-methylpropanoate, 3-Ethoxy-2-methylpropanoic acid ethyl ester, Propanoic acid,3-ethoxy-2-methyl-, ethyl ester, EINECS 243-272-8
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.10994 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.10994 Da |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
| SMILES | CCOCC(C)C(=O)OCC |
| InChIKey | DPBFTBZRGJZMOJ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-ethoxyisobutyrate
Property Insights of Ethyl 3-ethoxyisobutyrate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-ethoxyisobutyrate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 3-ethoxyisobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-ethoxyisobutyrate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-ethoxyisobutyrate?
The CAS number of Ethyl 3-ethoxyisobutyrate is 19758-19-1.
What is the molecular formula of Ethyl 3-ethoxyisobutyrate?
The molecular formula of Ethyl 3-ethoxyisobutyrate is C8H16O3.
What is the molecular weight of Ethyl 3-ethoxyisobutyrate?
The molecular weight of Ethyl 3-ethoxyisobutyrate is 160.10994 g/mol.
Where can I buy Ethyl 3-ethoxyisobutyrate?
You can request a quote for Ethyl 3-ethoxyisobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-ethoxyisobutyrate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-ethoxyisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.