Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
TL;DR: Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester (CAS 67801-67-6) is a chemical compound with molecular formula C37H72O4 and molecular weight 580.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-hexyldecanoyloxy)-2,2-dimethylpropyl] 2-hexyldecanoate
Also Known As: Neopentylglycol di-2-hexyldecanoate, Neopentyl glycol bis(2-hexyldecanoate), 2,2-dimethyl-1,3-propanediylbis, 2,2-dimethylpropane-1,3-diyl bis(2-hexyldecanoate), 2,2-Dimethyl-1,3-propanediyl bis(2-hexyldecanoate)
| Molecular Formula | C37H72O4 |
|---|---|
| Molecular Weight | 580.54 g/mol |
| LogP | 15.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 32 |
| Exact Mass | 580.5431 |
| Heavy Atoms | 41 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 67801-67-6 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCC)C(=O)OCC(C)(C)COC(=O)C(CCCCCC)CCCCCCCC |
| InChIKey | GZDPBJOBIHEIJR-UHFFFAOYSA-N |
Product Overview
Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester (CAS 67801-67-6), with molecular formula C37H72O4 and molecular weight 580.54 g/mol. IUPAC: [3-(2-hexyldecanoyloxy)-2,2-dimethylpropyl] 2-hexyldecanoate.
Chemical Property Profile of Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
Property Insights of Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
The XLogP value of 15.5 indicates that Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester has 0 hydrogen bond donor(s) and 4 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, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The CAS number of Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is 67801-67-6.
What is the molecular formula of Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The molecular formula of Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is C37H72O4.
What is the molecular weight of Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The molecular weight of Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is 580.54 g/mol.
Where can I buy Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
You can request a quote for Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-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, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, 2-hexyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.