Octanoic acid, 3,6-dimethyl-, methyl ester
TL;DR: Octanoic acid, 3,6-dimethyl-, methyl ester (CAS 57289-65-3) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,6-dimethyloctanoate
Also Known As: Methyl 3,6-dimethyloctanoate, 3,6-Dimethyloctanoicacidmethylester, Methyl 3,6-dimethyloctanoate #, 3,6-Dimethyloctanoic acid methyl ester, Octanoic acid, 3,6-dimethyl-, methyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 57289-65-3 |
|---|---|
| SMILES | CCC(C)CCC(C)CC(=O)OC |
| InChIKey | GHVLZOQDODBSTB-UHFFFAOYSA-N |
Product Overview
Octanoic acid, 3,6-dimethyl-, methyl ester (CAS 57289-65-3), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: methyl 3,6-dimethyloctanoate.
Chemical Property Profile of Octanoic acid, 3,6-dimethyl-, methyl ester
Property Insights of Octanoic acid, 3,6-dimethyl-, methyl ester
The XLogP value of 3.8 indicates that Octanoic acid, 3,6-dimethyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octanoic acid, 3,6-dimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 3,6-dimethyl-, methyl ester has 0 hydrogen bond donor(s) and 2 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 Octanoic acid, 3,6-dimethyl-, methyl ester?
The CAS number of Octanoic acid, 3,6-dimethyl-, methyl ester is 57289-65-3.
What is the molecular formula of Octanoic acid, 3,6-dimethyl-, methyl ester?
The molecular formula of Octanoic acid, 3,6-dimethyl-, methyl ester is C11H22O2.
What is the molecular weight of Octanoic acid, 3,6-dimethyl-, methyl ester?
The molecular weight of Octanoic acid, 3,6-dimethyl-, methyl ester is 186.16 g/mol.
Where can I buy Octanoic acid, 3,6-dimethyl-, methyl ester?
You can request a quote for Octanoic acid, 3,6-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 3,6-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 3,6-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.