4,5-Dimethyloctanoic acid
TL;DR: 4,5-Dimethyloctanoic acid (CAS 102877-57-6) 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.
4,5-dimethyloctanoic acid
Also Known As: 4,5-dimethyloctanoic Acid, Octanoic acid, 4,5-dimethyl-, 5-Hydroxy-1,2,3,4-tetrahydroisoquinoline, J2.368.584A
Technical Specifications
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.14633 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 Da |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
| SMILES | CCCC(C)C(C)CCC(=O)O |
| InChIKey | XDXGYWWRGNESEZ-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dimethyloctanoic acid
Property Insights of 4,5-Dimethyloctanoic acid
The XLogP value of 3.3 indicates that 4,5-Dimethyloctanoic 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, 4,5-Dimethyloctanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyloctanoic 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 4,5-Dimethyloctanoic acid?
The CAS number of 4,5-Dimethyloctanoic acid is 102877-57-6.
What is the molecular formula of 4,5-Dimethyloctanoic acid?
The molecular formula of 4,5-Dimethyloctanoic acid is C10H20O2.
What is the molecular weight of 4,5-Dimethyloctanoic acid?
The molecular weight of 4,5-Dimethyloctanoic acid is 172.14633 g/mol.
Where can I buy 4,5-Dimethyloctanoic acid?
You can request a quote for 4,5-Dimethyloctanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dimethyloctanoic acid?
Yes, CoreyChem provides custom synthesis services for 4,5-Dimethyloctanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.