2-Ethylhex-2-Enal
TL;DR: 2-Ethylhex-2-Enal (CAS 645-62-5) is a chemical compound with molecular formula C8H14O and molecular weight 126.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhex-2-enal
Also Known As: 2-Ethyl-2-hexenal, 2-Ethylhex-2-enal, 2-Ethylhexenal, 2-ethyl hexenal, 2-ethyl-hexenal
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| SMILES | CCCC=C(CC)C=O |
| InChIKey | PYLMCYQHBRSDND-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylhex-2-Enal
Property Insights of 2-Ethylhex-2-Enal
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhex-2-Enal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethylhex-2-Enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhex-2-Enal has 0 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-Ethylhex-2-Enal?
The CAS number of 2-Ethylhex-2-Enal is 645-62-5.
What is the molecular formula of 2-Ethylhex-2-Enal?
The molecular formula of 2-Ethylhex-2-Enal is C8H14O.
What is the molecular weight of 2-Ethylhex-2-Enal?
The molecular weight of 2-Ethylhex-2-Enal is 126.10446 g/mol.
Where can I buy 2-Ethylhex-2-Enal?
You can request a quote for 2-Ethylhex-2-Enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylhex-2-Enal?
Yes, CoreyChem provides custom synthesis services for 2-Ethylhex-2-Enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.