2,2-Diisopropyl-3-methylbutanoic acid
TL;DR: 2,2-Diisopropyl-3-methylbutanoic acid (CAS 69447-94-5) 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-methyl-2,2-di(propan-2-yl)butanoic acid
Also Known As: tri-isopropylacetic acid, 2,2-diisopropyl-3-methylbutanoic acid, 2,2-diisopropyl-3-methyl-butyric acid, 3-methyl-2,2-dipropan-2-yl-butanoic Acid, 3-methyl-2,2-di(propan-2-yl)butanoic acid
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.0254 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 158.75487 |
Chemical Identifiers
| CAS Number | 69447-94-5 |
|---|---|
| SMILES | CC(C)C(C(C)C)(C(C)C)C(=O)O |
Product Overview
2,2-Diisopropyl-3-methylbutanoic acid (CAS 69447-94-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 3-methyl-2,2-di(propan-2-yl)butanoic acid.
Chemical Property Profile of 2,2-Diisopropyl-3-methylbutanoic acid
Property Insights of 2,2-Diisopropyl-3-methylbutanoic acid
The XLogP value of 3.0254 indicates that 2,2-Diisopropyl-3-methylbutanoic 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, 2,2-Diisopropyl-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diisopropyl-3-methylbutanoic acid has 1 hydrogen bond donor(s) and 1 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 2,2-Diisopropyl-3-methylbutanoic acid?
The CAS number of 2,2-Diisopropyl-3-methylbutanoic acid is 69447-94-5.
What is the molecular formula of 2,2-Diisopropyl-3-methylbutanoic acid?
The molecular formula of 2,2-Diisopropyl-3-methylbutanoic acid is C11H22O2.
What is the molecular weight of 2,2-Diisopropyl-3-methylbutanoic acid?
The molecular weight of 2,2-Diisopropyl-3-methylbutanoic acid is 186.16 g/mol.
Where can I buy 2,2-Diisopropyl-3-methylbutanoic acid?
You can request a quote for 2,2-Diisopropyl-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diisopropyl-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diisopropyl-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.