Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester
TL;DR: Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester (CAS 96723-99-8) 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-methylpropyl 2-ethyl-2-methylbutanoate
Also Known As: 2-Methylpropyl 2-ethyl-2-methylbutanoate, Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester, 2-methylpropyl2-ethyl-2-methyl-butanoate, EC 619-240-8, J1.584.675E
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 96723-99-8 |
|---|---|
| SMILES | CCC(C)(CC)C(=O)OCC(C)C |
| InChIKey | TVNMPNXDTXVZKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester (CAS 96723-99-8), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2-methylpropyl 2-ethyl-2-methylbutanoate.
Chemical Property Profile of Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester
Property Insights of Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester
The XLogP value of 3.6 indicates that Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl 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, Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl 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 Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester?
The CAS number of Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester is 96723-99-8.
What is the molecular formula of Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester?
The molecular formula of Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester is C11H22O2.
What is the molecular weight of Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester?
The molecular weight of Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester is 186.16 g/mol.
Where can I buy Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester?
You can request a quote for Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-ethyl-2-methyl-, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.