![Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester structure](/static/products/6847/68479-72-1.webp)
Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
TL;DR: Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester (CAS 68479-72-1) is a chemical compound with molecular formula C41H76O8 and molecular weight 696.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(decanoyloxymethyl)-3-octanoyloxy-2-(octanoyloxymethyl)propyl] decanoate
Also Known As: Pentaerythritol dioctanoate didecanoate, Pentaerythritol, dicaprylate, dicaprate, pentaerythritol didecanoate dioctanoate, 2,2-bis[(octanoyloxy)methyl]propane-1,3-diyl didecanoate, 2,2-bis[[ oxy]methyl]-1,3-propanediyldidecanoate
| Molecular Formula | C41H76O8 |
|---|---|
| Molecular Weight | 696.55 g/mol |
| LogP | 14.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 696.554 |
| Heavy Atoms | 49 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 68479-72-1 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC |
| InChIKey | AMVDHHPLWPTQMD-UHFFFAOYSA-N |
Product Overview
Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester (CAS 68479-72-1), with molecular formula C41H76O8 and molecular weight 696.55 g/mol. IUPAC: [2-(decanoyloxymethyl)-3-octanoyloxy-2-(octanoyloxymethyl)propyl] decanoate.
Chemical Property Profile of Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
Property Insights of Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
The XLogP value of 14.0 indicates that Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester. Following Lipinski's Rule of Five, Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
The CAS number of Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester is 68479-72-1.
What is the molecular formula of Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
The molecular formula of Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester is C41H76O8.
What is the molecular weight of Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
The molecular weight of Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester is 696.55 g/mol.
Where can I buy Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
You can request a quote for Decanoic acid, 1,1'-[2,2-bis[[(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 Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.