Decaneperoxoic acid tert-butyl ester
TL;DR: Decaneperoxoic acid tert-butyl ester (CAS 16474-36-5) is a chemical compound with molecular formula C14H28O3 and molecular weight 244.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl decaneperoxoate
Also Known As: tert-butyl decaneperoxoate, Decaneperoxoic acid tert-butyl ester, tert-Butyl perdecanoate, tert-Butyl percaprate, starbld0036297
| Molecular Formula | C14H28O3 |
|---|---|
| Molecular Weight | 244.20 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 244.20384 |
| Heavy Atoms | 17 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 16474-36-5 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OOC(C)(C)C |
| InChIKey | WKEWCYHGACEYTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decaneperoxoic acid tert-butyl ester (CAS 16474-36-5), with molecular formula C14H28O3 and molecular weight 244.20 g/mol. IUPAC: tert-butyl decaneperoxoate.
Chemical Property Profile of Decaneperoxoic acid tert-butyl ester
Property Insights of Decaneperoxoic acid tert-butyl ester
The XLogP value of 5.2 indicates that Decaneperoxoic 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 35.5 Ų, Decaneperoxoic acid tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decaneperoxoic acid tert-butyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decaneperoxoic acid tert-butyl ester?
The CAS number of Decaneperoxoic acid tert-butyl ester is 16474-36-5.
What is the molecular formula of Decaneperoxoic acid tert-butyl ester?
The molecular formula of Decaneperoxoic acid tert-butyl ester is C14H28O3.
What is the molecular weight of Decaneperoxoic acid tert-butyl ester?
The molecular weight of Decaneperoxoic acid tert-butyl ester is 244.20 g/mol.
Where can I buy Decaneperoxoic acid tert-butyl ester?
You can request a quote for Decaneperoxoic 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 Decaneperoxoic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Decaneperoxoic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.