Decanoic acid tert-butyl ester
TL;DR: Decanoic acid tert-butyl ester (CAS 16474-41-2) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl decanoate
Also Known As: tert-butyl decanoate, Decanoic acid tert-butyl ester, t-butyl decanoate, starbld0035688, Decanoic acid, tert-butyl ester
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 16474-41-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC(C)(C)C |
| InChIKey | IZUZIVIUDTZPFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decanoic acid tert-butyl ester (CAS 16474-41-2), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: tert-butyl decanoate.
Chemical Property Profile of Decanoic acid tert-butyl ester
Property Insights of Decanoic acid tert-butyl ester
The XLogP value of 5.2 indicates that Decanoic acid tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Decanoic acid tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decanoic acid tert-butyl ester has 0 hydrogen bond donor(s) and 2 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 tert-butyl ester?
The CAS number of Decanoic acid tert-butyl ester is 16474-41-2.
What is the molecular formula of Decanoic acid tert-butyl ester?
The molecular formula of Decanoic acid tert-butyl ester is C14H28O2.
What is the molecular weight of Decanoic acid tert-butyl ester?
The molecular weight of Decanoic acid tert-butyl ester is 228.21 g/mol.
Where can I buy Decanoic acid tert-butyl ester?
You can request a quote for Decanoic acid tert-butyl 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 tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.