Oleic acid, pelargonic acid, trimethylolpropane ester
TL;DR: Oleic acid, pelargonic acid, trimethylolpropane ester (CAS 67762-68-9) is a chemical compound with molecular formula C33H62O5 and molecular weight 538.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-(nonanoyloxymethyl)butyl] octadec-9-enoate
Also Known As: Oleic acid, pelargonic acid, trimethylolpropane ester, 9-Octadecenoic acid (9Z)-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol nonanoate, 9-Octadecenoic acid, (Z)-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol nonanoate
| Molecular Formula | C33H62O5 |
|---|---|
| Molecular Weight | 538.46 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 30 |
| Exact Mass | 538.4597 |
| Heavy Atoms | 38 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 67762-68-9 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC |
| InChIKey | SGHUDFAPFZDGMX-UHFFFAOYSA-N |
Product Overview
Oleic acid, pelargonic acid, trimethylolpropane ester (CAS 67762-68-9), with molecular formula C33H62O5 and molecular weight 538.46 g/mol. IUPAC: [2-(hydroxymethyl)-2-(nonanoyloxymethyl)butyl] octadec-9-enoate.
Chemical Property Profile of Oleic acid, pelargonic acid, trimethylolpropane ester
Property Insights of Oleic acid, pelargonic acid, trimethylolpropane ester
The XLogP value of 11.3 indicates that Oleic acid, pelargonic acid, trimethylolpropane ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oleic acid, pelargonic acid, trimethylolpropane ester. Following Lipinski's Rule of Five, Oleic acid, pelargonic acid, trimethylolpropane ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oleic acid, pelargonic acid, trimethylolpropane ester?
The CAS number of Oleic acid, pelargonic acid, trimethylolpropane ester is 67762-68-9.
What is the molecular formula of Oleic acid, pelargonic acid, trimethylolpropane ester?
The molecular formula of Oleic acid, pelargonic acid, trimethylolpropane ester is C33H62O5.
What is the molecular weight of Oleic acid, pelargonic acid, trimethylolpropane ester?
The molecular weight of Oleic acid, pelargonic acid, trimethylolpropane ester is 538.46 g/mol.
Where can I buy Oleic acid, pelargonic acid, trimethylolpropane ester?
You can request a quote for Oleic acid, pelargonic acid, trimethylolpropane ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oleic acid, pelargonic acid, trimethylolpropane ester?
Yes, KEHONG BIO provides custom synthesis services for Oleic acid, pelargonic acid, trimethylolpropane ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.