Ethyl (E)-4-methyl-oct-3-enoate
TL;DR: Ethyl (E)-4-methyl-oct-3-enoate (CAS 85554-67-2) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-methyloct-3-enoate
Also Known As: Ethyl 4-methyl-oct-3-enoate, Ethyl (E)-4-methyl-oct-3-enoate, ethyl (E)-4-methyloct-3-enoate, ethyl 4-methyloct-3-enoate, EINECS 256-008-1
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.0761 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 170.9291 |
Chemical Identifiers
| CAS Number | 85554-67-2 |
|---|---|
| SMILES | CCCC/C(=C/CC(=O)OCC)/C |
Product Overview
Ethyl (E)-4-methyl-oct-3-enoate (CAS 85554-67-2), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: ethyl (E)-4-methyloct-3-enoate.
Chemical Property Profile of Ethyl (E)-4-methyl-oct-3-enoate
Property Insights of Ethyl (E)-4-methyl-oct-3-enoate
The XLogP value of 3.0761 indicates that Ethyl (E)-4-methyl-oct-3-enoate 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 (E)-4-methyl-oct-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (E)-4-methyl-oct-3-enoate 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 (E)-4-methyl-oct-3-enoate?
The CAS number of Ethyl (E)-4-methyl-oct-3-enoate is 85554-67-2.
What is the molecular formula of Ethyl (E)-4-methyl-oct-3-enoate?
The molecular formula of Ethyl (E)-4-methyl-oct-3-enoate is C11H20O2.
What is the molecular weight of Ethyl (E)-4-methyl-oct-3-enoate?
The molecular weight of Ethyl (E)-4-methyl-oct-3-enoate is 184.15 g/mol.
Where can I buy Ethyl (E)-4-methyl-oct-3-enoate?
You can request a quote for Ethyl (E)-4-methyl-oct-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (E)-4-methyl-oct-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (E)-4-methyl-oct-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.