3-Ethyl-1-hexene
TL;DR: 3-Ethyl-1-hexene (CAS 3404-58-8) is a chemical compound with molecular formula C8H16 and molecular weight 112.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylhex-1-ene
Also Known As: 3-Ethylhex-1-ene, 3-ethyl-hex-1-ene, 3-ethyl-1-hexene, 1-Hexene, 3-ethyl-, 1-Hexene,3-ethyl-
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 3404-58-8 |
|---|---|
| SMILES | CCCC(CC)C=C |
| InChIKey | OLGHJTHQWQKJQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-1-hexene (CAS 3404-58-8), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 3-ethylhex-1-ene.
Chemical Property Profile of 3-Ethyl-1-hexene
Property Insights of 3-Ethyl-1-hexene
The XLogP value of 3.8 indicates that 3-Ethyl-1-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-1-hexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-1-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
Frequently Asked Questions
What is the CAS number of 3-Ethyl-1-hexene?
The CAS number of 3-Ethyl-1-hexene is 3404-58-8.
What is the molecular formula of 3-Ethyl-1-hexene?
The molecular formula of 3-Ethyl-1-hexene is C8H16.
What is the molecular weight of 3-Ethyl-1-hexene?
The molecular weight of 3-Ethyl-1-hexene is 112.13 g/mol.
Where can I buy 3-Ethyl-1-hexene?
You can request a quote for 3-Ethyl-1-hexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-1-hexene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1-hexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.