2,6-Dimethyloctanoic acid methyl ester
TL;DR: 2,6-Dimethyloctanoic acid methyl ester (CAS 54798-85-5) 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.
methyl 2,6-dimethyloctanoate
Also Known As: Methyl 2,6-dimethyloctanoate, Methyl 2,6-dimethyloctanoate #, 2,6-Dimethyloctanoic acid methyl ester, 2,6-Dimethyloctanoicacidmethylester, Octanoic acid, 2,6-dimethyl-, methyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 54798-85-5 |
|---|---|
| SMILES | CCC(C)CCCC(C)C(=O)OC |
| InChIKey | BGIGQIAAMYGYGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyloctanoic acid methyl ester (CAS 54798-85-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: methyl 2,6-dimethyloctanoate.
Chemical Property Profile of 2,6-Dimethyloctanoic acid methyl ester
Property Insights of 2,6-Dimethyloctanoic acid methyl ester
The XLogP value of 3.9 indicates that 2,6-Dimethyloctanoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethyloctanoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyloctanoic acid methyl ester 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 2,6-Dimethyloctanoic acid methyl ester?
The CAS number of 2,6-Dimethyloctanoic acid methyl ester is 54798-85-5.
What is the molecular formula of 2,6-Dimethyloctanoic acid methyl ester?
The molecular formula of 2,6-Dimethyloctanoic acid methyl ester is C11H22O2.
What is the molecular weight of 2,6-Dimethyloctanoic acid methyl ester?
The molecular weight of 2,6-Dimethyloctanoic acid methyl ester is 186.16 g/mol.
Where can I buy 2,6-Dimethyloctanoic acid methyl ester?
You can request a quote for 2,6-Dimethyloctanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyloctanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyloctanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.