Hexyl valerate
TL;DR: Hexyl valerate (CAS 1117-59-5) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl pentanoate
Also Known As: Hexyl valerate, Hexyl pentanoate, Hexyl n-valerate, Hexyl valerianate, 1-Hexyl n-valerate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16199 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 Da |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
| SMILES | CCCCCCOC(=O)CCCC |
| InChIKey | YERFHJZYNMRVLO-UHFFFAOYSA-N |
Chemical Property Profile of Hexyl valerate
Property Insights of Hexyl valerate
The XLogP value of 3.8 indicates that Hexyl valerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl valerate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexyl valerate?
The CAS number of Hexyl valerate is 1117-59-5.
What is the molecular formula of Hexyl valerate?
The molecular formula of Hexyl valerate is C11H22O2.
What is the molecular weight of Hexyl valerate?
The molecular weight of Hexyl valerate is 186.16199 g/mol.
Where can I buy Hexyl valerate?
You can request a quote for Hexyl valerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexyl valerate?
Yes, CoreyChem provides custom synthesis services for Hexyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.