2-ethyl-3E-hexenoic acid
TL;DR: 2-ethyl-3E-hexenoic acid (CAS 1345684-32-3) 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.
(E)-2-ethylhex-3-enoic acid
Also Known As: 2-ethylhex-3-enoic acid, 2-ethyl-3E-hexenoic acid, (E)-2-ethylhex-3-enoic acid
Technical Specifications
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.09938 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 Da |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| SMILES | CC/C=C/C(CC)C(=O)O |
| InChIKey | VWZXHJHVCHFVNZ-AATRIKPKSA-N |
Chemical Property Profile of 2-ethyl-3E-hexenoic acid
Property Insights of 2-ethyl-3E-hexenoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethyl-3E-hexenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-ethyl-3E-hexenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyl-3E-hexenoic 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 2-ethyl-3E-hexenoic acid?
The CAS number of 2-ethyl-3E-hexenoic acid is 1345684-32-3.
What is the molecular formula of 2-ethyl-3E-hexenoic acid?
The molecular formula of 2-ethyl-3E-hexenoic acid is C8H14O2.
What is the molecular weight of 2-ethyl-3E-hexenoic acid?
The molecular weight of 2-ethyl-3E-hexenoic acid is 142.09938 g/mol.
Where can I buy 2-ethyl-3E-hexenoic acid?
You can request a quote for 2-ethyl-3E-hexenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-ethyl-3E-hexenoic acid?
Yes, CoreyChem provides custom synthesis services for 2-ethyl-3E-hexenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.