Ethyl 2-methyloctanoate
TL;DR: Ethyl 2-methyloctanoate (CAS 30982-02-6) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyloctanoate
Also Known As: Ethyl 2-methyloctanoate, Ethyl 2-methyloctanoate #, Octanoic acid, 2-methyl-, ethyl ester, 2-Methyloctanoic acid ethyl ester, 2-methyl-octanoic acid ethyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 30982-02-6 |
|---|---|
| SMILES | CCCCCCC(C)C(=O)OCC |
| InChIKey | HRJHQOXWONBAJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methyloctanoate (CAS 30982-02-6), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: ethyl 2-methyloctanoate.
Chemical Property Profile of Ethyl 2-methyloctanoate
Property Insights of Ethyl 2-methyloctanoate
The XLogP value of 4.0 indicates that Ethyl 2-methyloctanoate 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 2-methyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyloctanoate 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 2-methyloctanoate?
The CAS number of Ethyl 2-methyloctanoate is 30982-02-6.
What is the molecular formula of Ethyl 2-methyloctanoate?
The molecular formula of Ethyl 2-methyloctanoate is C11H22O2.
What is the molecular weight of Ethyl 2-methyloctanoate?
The molecular weight of Ethyl 2-methyloctanoate is 186.16 g/mol.
Where can I buy Ethyl 2-methyloctanoate?
You can request a quote for Ethyl 2-methyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.