Ethyl 3-hydroxy-3-methyloctanoate
TL;DR: Ethyl 3-hydroxy-3-methyloctanoate (CAS 1204574-08-2) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-hydroxy-3-methyloctanoate
Also Known As: Ethyl 3-hydroxy-3-methyloctanoate, EINECS 287-600-8, ethyl3-hydroxy-3-methyloctanoate, ETHYL 3-HYDROXY-3-METHYL-OCTANOATE, 3-Hydroxy-3-methyloctanoic acid ethyl ester
Technical Specifications
| Molecular Formula | C11H22O3 |
| Molecular Weight | 202.15689 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.15689 Da |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
| SMILES | CCCCCC(C)(CC(=O)OCC)O |
| InChIKey | LCKZWDMZQOHLGB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-hydroxy-3-methyloctanoate
Property Insights of Ethyl 3-hydroxy-3-methyloctanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3-methyloctanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-3-methyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3-methyloctanoate has 1 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-hydroxy-3-methyloctanoate?
The CAS number of Ethyl 3-hydroxy-3-methyloctanoate is 1204574-08-2.
What is the molecular formula of Ethyl 3-hydroxy-3-methyloctanoate?
The molecular formula of Ethyl 3-hydroxy-3-methyloctanoate is C11H22O3.
What is the molecular weight of Ethyl 3-hydroxy-3-methyloctanoate?
The molecular weight of Ethyl 3-hydroxy-3-methyloctanoate is 202.15689 g/mol.
Where can I buy Ethyl 3-hydroxy-3-methyloctanoate?
You can request a quote for Ethyl 3-hydroxy-3-methyloctanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-hydroxy-3-methyloctanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-hydroxy-3-methyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.