Ethyl 6-acetoxyhexanoate
TL;DR: Ethyl 6-acetoxyhexanoate (CAS 104986-28-9) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-acetyloxyhexanoate
Also Known As: Ethyl 6-acetoxyhexanoate, Berryflor, ethyl 6-acetyloxyhexanoate, berry hexanoate, ethyl 6-(acetyloxy)hexanoate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.12051 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 Da |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
| SMILES | CCOC(=O)CCCCCOC(=O)C |
| InChIKey | ODGMPRNNVXITJQ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 6-acetoxyhexanoate
Property Insights of Ethyl 6-acetoxyhexanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-acetoxyhexanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 6-acetoxyhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-acetoxyhexanoate has 0 hydrogen bond donor(s) and 4 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 6-acetoxyhexanoate?
The CAS number of Ethyl 6-acetoxyhexanoate is 104986-28-9.
What is the molecular formula of Ethyl 6-acetoxyhexanoate?
The molecular formula of Ethyl 6-acetoxyhexanoate is C10H18O4.
What is the molecular weight of Ethyl 6-acetoxyhexanoate?
The molecular weight of Ethyl 6-acetoxyhexanoate is 202.12051 g/mol.
Where can I buy Ethyl 6-acetoxyhexanoate?
You can request a quote for Ethyl 6-acetoxyhexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 6-acetoxyhexanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 6-acetoxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.