2-Ethoxy-3,5-hexadiene
TL;DR: 2-Ethoxy-3,5-hexadiene (CAS 56752-55-7) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxyhexa-1,3-diene
Also Known As: 2-ethoxy-3,5-hexadiene, 2-Ethoxyhexa-3,5-diene, 1,3-Hexadiene, 5-ethoxy-, (3E)-5-Ethoxyhexa-1,3-diene
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 56752-55-7 |
|---|---|
| SMILES | CCOC(C)C=CC=C |
| InChIKey | IXTXFMUQEVEFFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethoxy-3,5-hexadiene (CAS 56752-55-7), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 5-ethoxyhexa-1,3-diene.
Chemical Property Profile of 2-Ethoxy-3,5-hexadiene
Property Insights of 2-Ethoxy-3,5-hexadiene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-3,5-hexadiene. With a topological polar surface area (TPSA) of 9.2 Ų, 2-Ethoxy-3,5-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxy-3,5-hexadiene 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
Frequently Asked Questions
What is the CAS number of 2-Ethoxy-3,5-hexadiene?
The CAS number of 2-Ethoxy-3,5-hexadiene is 56752-55-7.
What is the molecular formula of 2-Ethoxy-3,5-hexadiene?
The molecular formula of 2-Ethoxy-3,5-hexadiene is C8H14O.
What is the molecular weight of 2-Ethoxy-3,5-hexadiene?
The molecular weight of 2-Ethoxy-3,5-hexadiene is 126.10 g/mol.
Where can I buy 2-Ethoxy-3,5-hexadiene?
You can request a quote for 2-Ethoxy-3,5-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-3,5-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-3,5-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.