Ethyl 2-octynoate
TL;DR: Ethyl 2-octynoate (CAS 10519-20-7) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl oct-2-ynoate
Also Known As: Ethyl 2-octynoate, Ethyl oct-2-ynoate, Ethyl 2-octynate, 2-Octynoic acid, ethyl ester, Ethyl heptynecarbonate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | CCCCCC#CC(=O)OCC |
| InChIKey | QPMDWYXUSMRVKT-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-octynoate
Property Insights of Ethyl 2-octynoate
The XLogP value of 3.5 indicates that Ethyl 2-octynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-octynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-octynoate 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 2-octynoate?
The CAS number of Ethyl 2-octynoate is 10519-20-7.
What is the molecular formula of Ethyl 2-octynoate?
The molecular formula of Ethyl 2-octynoate is C10H16O2.
What is the molecular weight of Ethyl 2-octynoate?
The molecular weight of Ethyl 2-octynoate is 168.11504 g/mol.
Where can I buy Ethyl 2-octynoate?
You can request a quote for Ethyl 2-octynoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-octynoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-octynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.