Ethyl 5-oxohexanoate
TL;DR: Ethyl 5-oxohexanoate (CAS 13984-57-1) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-oxohexanoate
Also Known As: Ethyl 5-oxohexanoate, Ethyl 4-acetylbutyrate, 5-Oxohexanoic acid ethyl ester, Hexanoic acid, 5-oxo-, ethyl ester, Ethyl 4-acetylbutanoate
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.0943 Da |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
| SMILES | CCOC(=O)CCCC(=O)C |
| InChIKey | MGPSIDGTLFKDEY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-oxohexanoate
Property Insights of Ethyl 5-oxohexanoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-oxohexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 5-oxohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-oxohexanoate 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 5-oxohexanoate?
The CAS number of Ethyl 5-oxohexanoate is 13984-57-1.
What is the molecular formula of Ethyl 5-oxohexanoate?
The molecular formula of Ethyl 5-oxohexanoate is C8H14O3.
What is the molecular weight of Ethyl 5-oxohexanoate?
The molecular weight of Ethyl 5-oxohexanoate is 158.0943 g/mol.
Where can I buy Ethyl 5-oxohexanoate?
You can request a quote for Ethyl 5-oxohexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-oxohexanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.