Cyclohexyl octanoate
TL;DR: Cyclohexyl octanoate (CAS 1551-42-4) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexyl octanoate
Also Known As: Cyclohexyl octanoate, Cyclohexyl octanoate #, octanoic acid cyclohexyl ester, Heptyl cyclohexane carboxylic acid, Octanoic acid, cyclohexyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H26O2 |
| Molecular Weight | 226.19328 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.19328 Da |
| Heavy Atoms | 16 |
| Complexity | 183.0 |
| SMILES | CCCCCCCC(=O)OC1CCCCC1 |
| InChIKey | TXWXLLMVRVKQSO-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexyl octanoate
Property Insights of Cyclohexyl octanoate
The XLogP value of 4.9 indicates that Cyclohexyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl octanoate 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 Cyclohexyl octanoate?
The CAS number of Cyclohexyl octanoate is 1551-42-4.
What is the molecular formula of Cyclohexyl octanoate?
The molecular formula of Cyclohexyl octanoate is C14H26O2.
What is the molecular weight of Cyclohexyl octanoate?
The molecular weight of Cyclohexyl octanoate is 226.19328 g/mol.
Where can I buy Cyclohexyl octanoate?
You can request a quote for Cyclohexyl octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexyl octanoate?
Yes, CoreyChem provides custom synthesis services for Cyclohexyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.