2,6,8-Trimethyldecanoic acid methyl ester
TL;DR: 2,6,8-Trimethyldecanoic acid methyl ester (CAS 55059-27-3) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6,8-trimethyldecanoate
Also Known As: Methyl 2,6,8-trimethyldecanoate, 2,6,8-Trimethyldecanoic acid methyl ester, Methyl 2,6,8-trimethyldecanoate #, Decanoic acid, 2,6,8-trimethyl-, methyl ester
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 55059-27-3 |
|---|---|
| SMILES | CCC(C)CC(C)CCCC(C)C(=O)OC |
| InChIKey | HRSKFPUCYCOQAG-UHFFFAOYSA-N |
Product Overview
2,6,8-Trimethyldecanoic acid methyl ester (CAS 55059-27-3), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: methyl 2,6,8-trimethyldecanoate.
Chemical Property Profile of 2,6,8-Trimethyldecanoic acid methyl ester
Property Insights of 2,6,8-Trimethyldecanoic acid methyl ester
The XLogP value of 5.3 indicates that 2,6,8-Trimethyldecanoic 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, 2,6,8-Trimethyldecanoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,8-Trimethyldecanoic acid methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6,8-Trimethyldecanoic acid methyl ester?
The CAS number of 2,6,8-Trimethyldecanoic acid methyl ester is 55059-27-3.
What is the molecular formula of 2,6,8-Trimethyldecanoic acid methyl ester?
The molecular formula of 2,6,8-Trimethyldecanoic acid methyl ester is C14H28O2.
What is the molecular weight of 2,6,8-Trimethyldecanoic acid methyl ester?
The molecular weight of 2,6,8-Trimethyldecanoic acid methyl ester is 228.21 g/mol.
Where can I buy 2,6,8-Trimethyldecanoic acid methyl ester?
You can request a quote for 2,6,8-Trimethyldecanoic 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 2,6,8-Trimethyldecanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,6,8-Trimethyldecanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.