3-Ethyl-3-hexene
TL;DR: 3-Ethyl-3-hexene (CAS 16789-51-8) is a chemical compound with molecular formula C8H16 and molecular weight 112.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethylhex-3-ene
Also Known As: 3-Ethyl-3-hexene, 3-ethylhex-3-ene, 3-Hexene, 3-ethyl-, 3-Hexene, 3-ethyl, (C2H5)2C=CHC2H5
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16 |
| Molecular Weight | 112.1252 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.1252 Da |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
| SMILES | CCC=C(CC)CC |
| InChIKey | AUJLDZJNMXNESO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-3-hexene
Property Insights of 3-Ethyl-3-hexene
The XLogP value of 3.6 indicates that 3-Ethyl-3-hexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Ethyl-3-hexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-3-hexene has 0 hydrogen bond donor(s) and 0 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-Ethyl-3-hexene?
The CAS number of 3-Ethyl-3-hexene is 16789-51-8.
What is the molecular formula of 3-Ethyl-3-hexene?
The molecular formula of 3-Ethyl-3-hexene is C8H16.
What is the molecular weight of 3-Ethyl-3-hexene?
The molecular weight of 3-Ethyl-3-hexene is 112.1252 g/mol.
Where can I buy 3-Ethyl-3-hexene?
You can request a quote for 3-Ethyl-3-hexene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-3-hexene?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-3-hexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.