5,5-Dimethylhexanoic acid
TL;DR: 5,5-Dimethylhexanoic acid (CAS 24499-80-7) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethylhexanoic acid
Also Known As: 5,5-Dimethylhexanoic acid, neo-octanoic acid, Hexanoic acid, 5,5-dimethyl-, 5,5-dimethylcaproic acid, 5,5-dimethyl-hexanoic acid
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.2874 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 110.91622 |
Chemical Identifiers
| CAS Number | 24499-80-7 |
|---|---|
| SMILES | CC(C)(C)CCCC(=O)O |
Product Overview
5,5-Dimethylhexanoic acid (CAS 24499-80-7), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 5,5-dimethylhexanoic acid.
Chemical Property Profile of 5,5-Dimethylhexanoic acid
Property Insights of 5,5-Dimethylhexanoic acid
The XLogP value of 2.2874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethylhexanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5,5-Dimethylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethylhexanoic 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 5,5-Dimethylhexanoic acid?
The CAS number of 5,5-Dimethylhexanoic acid is 24499-80-7.
What is the molecular formula of 5,5-Dimethylhexanoic acid?
The molecular formula of 5,5-Dimethylhexanoic acid is C8H16O2.
What is the molecular weight of 5,5-Dimethylhexanoic acid?
The molecular weight of 5,5-Dimethylhexanoic acid is 144.12 g/mol.
Where can I buy 5,5-Dimethylhexanoic acid?
You can request a quote for 5,5-Dimethylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.