![Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester structure](/static/products/6787/67874-06-0.webp)
Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
TL;DR: Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester (CAS 67874-06-0) is a chemical compound with molecular formula C29H54O6 and molecular weight 498.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-3-octanoyloxy-2-(octanoyloxymethyl)propyl] octanoate
Also Known As: Trimethylolethane trioctanoate, Trimethanol ethane tricaprylate, 1,1,1-Trimethylolethane tricaprylate, Trimethylolethane tricaprylate, 2-methyl-2-[methyl]-1,3-propanedioldioctanoate
| Molecular Formula | C29H54O6 |
|---|---|
| Molecular Weight | 498.39 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Exact Mass | 498.39203 |
| Heavy Atoms | 35 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 67874-06-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCC)COC(=O)CCCCCCC |
| InChIKey | YGVPUMJJMNBLAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester (CAS 67874-06-0), with molecular formula C29H54O6 and molecular weight 498.39 g/mol. IUPAC: [2-methyl-3-octanoyloxy-2-(octanoyloxymethyl)propyl] octanoate.
Chemical Property Profile of Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
Property Insights of Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
The XLogP value of 9.5 indicates that Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester. Following Lipinski's Rule of Five, Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
The CAS number of Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester is 67874-06-0.
What is the molecular formula of Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
The molecular formula of Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester is C29H54O6.
What is the molecular weight of Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
The molecular weight of Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester is 498.39 g/mol.
Where can I buy Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
You can request a quote for Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] 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, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 1,1'-[2-methyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.