Hexanoic acid, 2-methylbutyl ester
TL;DR: Hexanoic acid, 2-methylbutyl ester (CAS 2601-13-0) 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.
2-methylbutyl hexanoate
Also Known As: 2-Methylbutyl hexanoate, 2-Methylbutyl caproate, Hexanoic acid, 2-methylbutyl ester, 2-methyl butyl hexanoate, Methyl 2-butyl hexanoate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.7 |
| 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 | 2601-13-0 |
|---|---|
| SMILES | CCCCCC(=O)OCC(C)CC |
| InChIKey | ZWMQVDONBUJJLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2-methylbutyl ester (CAS 2601-13-0), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2-methylbutyl hexanoate.
Chemical Property Profile of Hexanoic acid, 2-methylbutyl ester
Property Insights of Hexanoic acid, 2-methylbutyl ester
The XLogP value of 3.7 indicates that Hexanoic acid, 2-methylbutyl 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, Hexanoic acid, 2-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-methylbutyl 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 Hexanoic acid, 2-methylbutyl ester?
The CAS number of Hexanoic acid, 2-methylbutyl ester is 2601-13-0.
What is the molecular formula of Hexanoic acid, 2-methylbutyl ester?
The molecular formula of Hexanoic acid, 2-methylbutyl ester is C11H22O2.
What is the molecular weight of Hexanoic acid, 2-methylbutyl ester?
The molecular weight of Hexanoic acid, 2-methylbutyl ester is 186.16 g/mol.
Where can I buy Hexanoic acid, 2-methylbutyl ester?
You can request a quote for Hexanoic acid, 2-methylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.