3-Octenoic acid
TL;DR: 3-Octenoic acid (CAS 1577-19-1) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oct-3-enoic acid
Also Known As: 3-OCTENOIC ACID, oct-3-enoic acid, oct-3-enoicacid, 3E-octenoic acid, trans-3-octenoic acid
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.09938 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| Density | 0.928-0.938 (20°) |
| Refractive Index | 1.443-1.450 |
| Solubility | Slightly soluble in water; soluble in most organic solvents |
| SMILES | CCCCC=CCC(=O)O |
| InChIKey | IWPOSDLLFZKGOW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Octenoic acid
Property Insights of 3-Octenoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Octenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Octenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octenoic acid has 1 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 3-Octenoic acid?
The CAS number of 3-Octenoic acid is 1577-19-1.
What is the molecular formula of 3-Octenoic acid?
The molecular formula of 3-Octenoic acid is C8H14O2.
What is the molecular weight of 3-Octenoic acid?
The molecular weight of 3-Octenoic acid is 142.09938 g/mol.
Where can I buy 3-Octenoic acid?
You can request a quote for 3-Octenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Octenoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Octenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.