Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester
TL;DR: Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester (CAS 67953-15-5) is a chemical compound with molecular formula C14H28O4 and molecular weight 260.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] nonanoate
Also Known As: Trimethylolethane monononanoate, Trimethylolethane nonanoate, Trimethylolethane pelargonate, 1,1,1-Trimethylolethanemonopelargonate, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl nonanoate
| Molecular Formula | C14H28O4 |
|---|---|
| Molecular Weight | 260.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 260.19876 |
| Heavy Atoms | 18 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 67953-15-5 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(C)(CO)CO |
| InChIKey | FGFLOEFTQIRCEW-UHFFFAOYSA-N |
Product Overview
Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester (CAS 67953-15-5), with molecular formula C14H28O4 and molecular weight 260.20 g/mol. IUPAC: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] nonanoate.
Chemical Property Profile of Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester
Property Insights of Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester. Following Lipinski's Rule of Five, Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester has 2 hydrogen bond donor(s) and 4 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 Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester?
The CAS number of Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester is 67953-15-5.
What is the molecular formula of Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester?
The molecular formula of Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester is C14H28O4.
What is the molecular weight of Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester?
The molecular weight of Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester is 260.20 g/mol.
Where can I buy Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester?
You can request a quote for Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.