3-Methyloctanoic acid
TL;DR: 3-Methyloctanoic acid (CAS 6061-10-5) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyloctanoic acid
Also Known As: 3-Methyloctanoic acid, 3-methyl-octanoic acid, 3-methyl octanoic acid, 3-METHYLOCTANOICACID, Octanoic acid, 3-methyl-
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.6775 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.13036 |
Chemical Identifiers
| CAS Number | 6061-10-5 |
|---|---|
| SMILES | CCCCCC(C)CC(=O)O |
Product Overview
3-Methyloctanoic acid (CAS 6061-10-5), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3-methyloctanoic acid.
Chemical Property Profile of 3-Methyloctanoic acid
Property Insights of 3-Methyloctanoic acid
The XLogP value of 2.6775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyloctanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyloctanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyloctanoic 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 3-Methyloctanoic acid?
The CAS number of 3-Methyloctanoic acid is 6061-10-5.
What is the molecular formula of 3-Methyloctanoic acid?
The molecular formula of 3-Methyloctanoic acid is C9H18O2.
What is the molecular weight of 3-Methyloctanoic acid?
The molecular weight of 3-Methyloctanoic acid is 158.13 g/mol.
Where can I buy 3-Methyloctanoic acid?
You can request a quote for 3-Methyloctanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyloctanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyloctanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.