3,3,5,5-Tetramethylhexanoic acid
TL;DR: 3,3,5,5-Tetramethylhexanoic acid (CAS 1135681-77-4) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,5,5-tetramethylhexanoic acid
Also Known As: 3,3,5,5-tetramethylhexanoic Acid, Hexanoic acid, 3,3,5,5-tetramethyl-, 2,2,4,4-tetramethylpent-anecarboxylic acid, C1SHQ1B8TP
Technical Specifications
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.14633 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.14633 Da |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| SMILES | CC(C)(C)CC(C)(C)CC(=O)O |
| InChIKey | WRPPDRMFGQJMAR-UHFFFAOYSA-N |
Chemical Property Profile of 3,3,5,5-Tetramethylhexanoic acid
Property Insights of 3,3,5,5-Tetramethylhexanoic acid
The XLogP value of 3.2 indicates that 3,3,5,5-Tetramethylhexanoic 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, 3,3,5,5-Tetramethylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5,5-Tetramethylhexanoic 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 3,3,5,5-Tetramethylhexanoic acid?
The CAS number of 3,3,5,5-Tetramethylhexanoic acid is 1135681-77-4.
What is the molecular formula of 3,3,5,5-Tetramethylhexanoic acid?
The molecular formula of 3,3,5,5-Tetramethylhexanoic acid is C10H20O2.
What is the molecular weight of 3,3,5,5-Tetramethylhexanoic acid?
The molecular weight of 3,3,5,5-Tetramethylhexanoic acid is 172.14633 g/mol.
Where can I buy 3,3,5,5-Tetramethylhexanoic acid?
You can request a quote for 3,3,5,5-Tetramethylhexanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3,5,5-Tetramethylhexanoic acid?
Yes, CoreyChem provides custom synthesis services for 3,3,5,5-Tetramethylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.