2-Ethylhept-2-enal
TL;DR: 2-Ethylhept-2-enal (CAS 10031-88-6) is a chemical compound with molecular formula C9H16O and molecular weight 140.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhept-2-enal
Also Known As: 2-Ethyl-2-heptenal, 2-Heptenal, 2-ethyl-, 2-ETHYLHEPT-2-ENAL
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12012 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.12012 Da |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| SMILES | CCCCC=C(CC)C=O |
| InChIKey | RKQKOUYEJBHOFR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylhept-2-enal
Property Insights of 2-Ethylhept-2-enal
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhept-2-enal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethylhept-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhept-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-Ethylhept-2-enal?
The CAS number of 2-Ethylhept-2-enal is 10031-88-6.
What is the molecular formula of 2-Ethylhept-2-enal?
The molecular formula of 2-Ethylhept-2-enal is C9H16O.
What is the molecular weight of 2-Ethylhept-2-enal?
The molecular weight of 2-Ethylhept-2-enal is 140.12012 g/mol.
Where can I buy 2-Ethylhept-2-enal?
You can request a quote for 2-Ethylhept-2-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylhept-2-enal?
Yes, CoreyChem provides custom synthesis services for 2-Ethylhept-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.