Ethyl 3-oxooctanoate
TL;DR: Ethyl 3-oxooctanoate (CAS 10488-95-6) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-oxooctanoate
Also Known As: Ethyl 3-oxooctanoate, 3-Oxo-octanoic acid ethyl ester, caprylsaureethylester, ethyl hexanoylacetate, 3-Oxo-octanoicacidethylester
Technical Specifications
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.1256 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.1256 Da |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| SMILES | CCCCCC(=O)CC(=O)OCC |
| InChIKey | YGRJFGCEOYRREO-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-oxooctanoate
Property Insights of Ethyl 3-oxooctanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxooctanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-oxooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxooctanoate 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-oxooctanoate?
The CAS number of Ethyl 3-oxooctanoate is 10488-95-6.
What is the molecular formula of Ethyl 3-oxooctanoate?
The molecular formula of Ethyl 3-oxooctanoate is C10H18O3.
What is the molecular weight of Ethyl 3-oxooctanoate?
The molecular weight of Ethyl 3-oxooctanoate is 186.1256 g/mol.
Where can I buy Ethyl 3-oxooctanoate?
You can request a quote for Ethyl 3-oxooctanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-oxooctanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-oxooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.