methyl (E)-6-ethyl-4-oxooct-2-enoate
TL;DR: methyl (E)-6-ethyl-4-oxooct-2-enoate (CAS 162218-88-4) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-6-ethyl-4-oxooct-2-enoate
Also Known As: Methyl 6-ethyl-4-oxooct-2-enoate, Methyl (E)-6-ethyl-4-oxo-oct-2-enoate, 4-Oxo-6-ethyl-2-octenoic acid methyl ester, J1.041.755D
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.111 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 214.57254 |
Chemical Identifiers
| CAS Number | 162218-88-4 |
|---|---|
| SMILES | CCC(CC)CC(=O)/C=C/C(=O)OC |
Product Overview
methyl (E)-6-ethyl-4-oxooct-2-enoate (CAS 162218-88-4), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: methyl (E)-6-ethyl-4-oxooct-2-enoate.
Chemical Property Profile of methyl (E)-6-ethyl-4-oxooct-2-enoate
Property Insights of methyl (E)-6-ethyl-4-oxooct-2-enoate
The XLogP value of 2.111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-6-ethyl-4-oxooct-2-enoate. With a topological polar surface area (TPSA) of 43.37 Ų, methyl (E)-6-ethyl-4-oxooct-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (E)-6-ethyl-4-oxooct-2-enoate has 0 hydrogen bond donor(s) and 3 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 methyl (E)-6-ethyl-4-oxooct-2-enoate?
The CAS number of methyl (E)-6-ethyl-4-oxooct-2-enoate is 162218-88-4.
What is the molecular formula of methyl (E)-6-ethyl-4-oxooct-2-enoate?
The molecular formula of methyl (E)-6-ethyl-4-oxooct-2-enoate is C11H18O3.
What is the molecular weight of methyl (E)-6-ethyl-4-oxooct-2-enoate?
The molecular weight of methyl (E)-6-ethyl-4-oxooct-2-enoate is 198.13 g/mol.
Where can I buy methyl (E)-6-ethyl-4-oxooct-2-enoate?
You can request a quote for methyl (E)-6-ethyl-4-oxooct-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-6-ethyl-4-oxooct-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-6-ethyl-4-oxooct-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.