Ethyl oct-4-enoate
TL;DR: Ethyl oct-4-enoate (CAS 138234-61-4) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl oct-4-enoate
Also Known As: Ethyl 4-octenoate, ethyl oct-4-enoate, 4-Octenoic acid, ethyl ester, Ethyl trans-4-octenoate, Ethyl cis-4-octenoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
| SMILES | CCCC=CCCC(=O)OCC |
| InChIKey | WRUZCQAJIHSQPL-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl oct-4-enoate
Property Insights of Ethyl oct-4-enoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl oct-4-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl oct-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl oct-4-enoate 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 Ethyl oct-4-enoate?
The CAS number of Ethyl oct-4-enoate is 138234-61-4.
What is the molecular formula of Ethyl oct-4-enoate?
The molecular formula of Ethyl oct-4-enoate is C10H18O2.
What is the molecular weight of Ethyl oct-4-enoate?
The molecular weight of Ethyl oct-4-enoate is 170.13068 g/mol.
Where can I buy Ethyl oct-4-enoate?
You can request a quote for Ethyl oct-4-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl oct-4-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl oct-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.