Ethyl 3-ethyl-7-methyl-2,6-octadienoate
TL;DR: Ethyl 3-ethyl-7-methyl-2,6-octadienoate (CAS 63584-40-7) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-3-ethyl-7-methylocta-2,6-dienoate
Also Known As: EINECS 264-337-7, Ethyl 3-ethyl-7-methyl-2,6-octadienoate, ethyl 3-ethyl-7-methylocta-2,6-dienoate, ethyl (2E)-3-ethyl-7-methylocta-2,6-dienoate, 3-Ethyl-7-methyl-2,6-octadienoic acid ethyl ester
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.6323 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 245.26157 |
Chemical Identifiers
| CAS Number | 63584-40-7 |
|---|---|
| SMILES | CC/C(=C\C(=O)OCC)/CCC=C(C)C |
Product Overview
Ethyl 3-ethyl-7-methyl-2,6-octadienoate (CAS 63584-40-7), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: ethyl (2E)-3-ethyl-7-methylocta-2,6-dienoate.
Chemical Property Profile of Ethyl 3-ethyl-7-methyl-2,6-octadienoate
Property Insights of Ethyl 3-ethyl-7-methyl-2,6-octadienoate
The XLogP value of 3.6323 indicates that Ethyl 3-ethyl-7-methyl-2,6-octadienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-ethyl-7-methyl-2,6-octadienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-ethyl-7-methyl-2,6-octadienoate has 0 hydrogen bond donor(s) and 2 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 Ethyl 3-ethyl-7-methyl-2,6-octadienoate?
The CAS number of Ethyl 3-ethyl-7-methyl-2,6-octadienoate is 63584-40-7.
What is the molecular formula of Ethyl 3-ethyl-7-methyl-2,6-octadienoate?
The molecular formula of Ethyl 3-ethyl-7-methyl-2,6-octadienoate is C13H22O2.
What is the molecular weight of Ethyl 3-ethyl-7-methyl-2,6-octadienoate?
The molecular weight of Ethyl 3-ethyl-7-methyl-2,6-octadienoate is 210.16 g/mol.
Where can I buy Ethyl 3-ethyl-7-methyl-2,6-octadienoate?
You can request a quote for Ethyl 3-ethyl-7-methyl-2,6-octadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-ethyl-7-methyl-2,6-octadienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-ethyl-7-methyl-2,6-octadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.