Ethyl 4-methyl-3-nonenoate
TL;DR: Ethyl 4-methyl-3-nonenoate (CAS 85554-63-8) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methylnon-3-enoate
Also Known As: Ethyl 4-methylnon-3-enoate, Ethyl 4-methyl-3-nonenoate, EINECS 287-595-2
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.4662 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 182.76076 |
Chemical Identifiers
| CAS Number | 85554-63-8 |
|---|---|
| SMILES | CCCCCC(=CCC(=O)OCC)C |
Product Overview
Ethyl 4-methyl-3-nonenoate (CAS 85554-63-8), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: ethyl 4-methylnon-3-enoate.
Chemical Property Profile of Ethyl 4-methyl-3-nonenoate
Property Insights of Ethyl 4-methyl-3-nonenoate
The XLogP value of 3.4662 indicates that Ethyl 4-methyl-3-nonenoate 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 4-methyl-3-nonenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methyl-3-nonenoate 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 4-methyl-3-nonenoate?
The CAS number of Ethyl 4-methyl-3-nonenoate is 85554-63-8.
What is the molecular formula of Ethyl 4-methyl-3-nonenoate?
The molecular formula of Ethyl 4-methyl-3-nonenoate is C12H22O2.
What is the molecular weight of Ethyl 4-methyl-3-nonenoate?
The molecular weight of Ethyl 4-methyl-3-nonenoate is 198.16 g/mol.
Where can I buy Ethyl 4-methyl-3-nonenoate?
You can request a quote for Ethyl 4-methyl-3-nonenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-3-nonenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-3-nonenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.