2-Methyl-2-ethylheptanecarboxylic acid
TL;DR: 2-Methyl-2-ethylheptanecarboxylic acid (CAS 106593-77-5) 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.
3-ethyl-3-methyloctanoic acid
Also Known As: 3-ethyl-3-methyl-octanoic acid, 3-ethyl-3-methyloctanoic acid, 2-methyl-2-ethylheptanecarboxylic acid
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 106593-77-5 |
|---|---|
| SMILES | CCCCCC(C)(CC)CC(=O)O |
| InChIKey | OTRQRRQQUZOIIT-UHFFFAOYSA-N |
Product Overview
2-Methyl-2-ethylheptanecarboxylic acid (CAS 106593-77-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 3-ethyl-3-methyloctanoic acid.
Chemical Property Profile of 2-Methyl-2-ethylheptanecarboxylic acid
Property Insights of 2-Methyl-2-ethylheptanecarboxylic acid
The XLogP value of 4.2 indicates that 2-Methyl-2-ethylheptanecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methyl-2-ethylheptanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-ethylheptanecarboxylic acid has 1 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-Methyl-2-ethylheptanecarboxylic acid?
The CAS number of 2-Methyl-2-ethylheptanecarboxylic acid is 106593-77-5.
What is the molecular formula of 2-Methyl-2-ethylheptanecarboxylic acid?
The molecular formula of 2-Methyl-2-ethylheptanecarboxylic acid is C11H22O2.
What is the molecular weight of 2-Methyl-2-ethylheptanecarboxylic acid?
The molecular weight of 2-Methyl-2-ethylheptanecarboxylic acid is 186.16 g/mol.
Where can I buy 2-Methyl-2-ethylheptanecarboxylic acid?
You can request a quote for 2-Methyl-2-ethylheptanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-ethylheptanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-ethylheptanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.