Methyl 2-methylundecanoate
TL;DR: Methyl 2-methylundecanoate (CAS 55955-69-6) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylundecanoate
Also Known As: Methyl 2-methylundecanoate, Methyl 2-methylundecanoate #, Methyl ester of 2-methylundecanoic acid, 2-Methylundecanoicacidmethylester, Undecanoic acid, 2-methyl-, methyl ester
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 55955-69-6 |
|---|---|
| SMILES | CCCCCCCCCC(C)C(=O)OC |
| InChIKey | KGVPRVBZKYLXFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methylundecanoate (CAS 55955-69-6), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: methyl 2-methylundecanoate.
Chemical Property Profile of Methyl 2-methylundecanoate
Property Insights of Methyl 2-methylundecanoate
The XLogP value of 5.3 indicates that Methyl 2-methylundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-methylundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methylundecanoate 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 Methyl 2-methylundecanoate?
The CAS number of Methyl 2-methylundecanoate is 55955-69-6.
What is the molecular formula of Methyl 2-methylundecanoate?
The molecular formula of Methyl 2-methylundecanoate is C13H26O2.
What is the molecular weight of Methyl 2-methylundecanoate?
The molecular weight of Methyl 2-methylundecanoate is 214.19 g/mol.
Where can I buy Methyl 2-methylundecanoate?
You can request a quote for Methyl 2-methylundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methylundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methylundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.