2,2,3-Trimethylhexanoic acid
TL;DR: 2,2,3-Trimethylhexanoic acid (CAS 156606-68-7) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3-trimethylhexanoic acid
Also Known As: 2,2,3-trimethylhexanoic Acid, trimethylhexanoic acid, exnoic acid, trimethyl-
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| SMILES | CCCC(C)C(C)(C)C(=O)O |
| InChIKey | OJEWIWBDGBRNFP-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,3-Trimethylhexanoic acid
Property Insights of 2,2,3-Trimethylhexanoic acid
The XLogP value of 3.1 indicates that 2,2,3-Trimethylhexanoic 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, 2,2,3-Trimethylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3-Trimethylhexanoic 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
What is the CAS number of 2,2,3-Trimethylhexanoic acid?
The CAS number of 2,2,3-Trimethylhexanoic acid is 156606-68-7.
What is the molecular formula of 2,2,3-Trimethylhexanoic acid?
The molecular formula of 2,2,3-Trimethylhexanoic acid is C9H18O2.
What is the molecular weight of 2,2,3-Trimethylhexanoic acid?
The molecular weight of 2,2,3-Trimethylhexanoic acid is 158.13068 g/mol.
Where can I buy 2,2,3-Trimethylhexanoic acid?
You can request a quote for 2,2,3-Trimethylhexanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,3-Trimethylhexanoic acid?
Yes, CoreyChem provides custom synthesis services for 2,2,3-Trimethylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.