2-Ethyl-2-hexenol
TL;DR: 2-Ethyl-2-hexenol (CAS 50639-00-4) is a chemical compound with molecular formula C8H16O and molecular weight 128.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhex-2-en-1-ol
Also Known As: 2-Ethylhex-2-enol, 2-Ethyl-2-hexenol, 2-ethylhex-2-en-1-ol, 2-Hexen-1-ol, 2-ethyl-, 2-Hexen-1-ol,2-ethyl-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12012 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.12012 Da |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| SMILES | CCCC=C(CC)CO |
| InChIKey | JSRFYJBJQPGAAA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethyl-2-hexenol
Property Insights of 2-Ethyl-2-hexenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-2-hexenol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Ethyl-2-hexenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-hexenol has 1 hydrogen bond donor(s) and 1 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-2-hexenol?
The CAS number of 2-Ethyl-2-hexenol is 50639-00-4.
What is the molecular formula of 2-Ethyl-2-hexenol?
The molecular formula of 2-Ethyl-2-hexenol is C8H16O.
What is the molecular weight of 2-Ethyl-2-hexenol?
The molecular weight of 2-Ethyl-2-hexenol is 128.12012 g/mol.
Where can I buy 2-Ethyl-2-hexenol?
You can request a quote for 2-Ethyl-2-hexenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-2-hexenol?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-2-hexenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.