Tert-butyl 2-hydroperoxydodecanoate
TL;DR: Tert-butyl 2-hydroperoxydodecanoate (CAS 56363-68-9) is a chemical compound with molecular formula C16H32O4 and molecular weight 288.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-hydroperoxydodecanoate
Also Known As: tert-butyl 2-hydroperoxydodecanoate, 2-Hydroperoxy-tert.-butyl-dodecanoat, Dodecanoic acid, 2-hydroperoxy-, 1,1-dimethylethyl ester
| Molecular Formula | C16H32O4 |
|---|---|
| Molecular Weight | 288.23 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 288.23007 |
| Heavy Atoms | 20 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 56363-68-9 |
|---|---|
| SMILES | CCCCCCCCCCC(C(=O)OC(C)(C)C)OO |
| InChIKey | HMNKJTIBHIOBQK-UHFFFAOYSA-N |
Product Overview
Tert-butyl 2-hydroperoxydodecanoate (CAS 56363-68-9), with molecular formula C16H32O4 and molecular weight 288.23 g/mol. IUPAC: tert-butyl 2-hydroperoxydodecanoate.
Chemical Property Profile of Tert-butyl 2-hydroperoxydodecanoate
Property Insights of Tert-butyl 2-hydroperoxydodecanoate
The XLogP value of 5.6 indicates that Tert-butyl 2-hydroperoxydodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Tert-butyl 2-hydroperoxydodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-hydroperoxydodecanoate has 1 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 Tert-butyl 2-hydroperoxydodecanoate?
The CAS number of Tert-butyl 2-hydroperoxydodecanoate is 56363-68-9.
What is the molecular formula of Tert-butyl 2-hydroperoxydodecanoate?
The molecular formula of Tert-butyl 2-hydroperoxydodecanoate is C16H32O4.
What is the molecular weight of Tert-butyl 2-hydroperoxydodecanoate?
The molecular weight of Tert-butyl 2-hydroperoxydodecanoate is 288.23 g/mol.
Where can I buy Tert-butyl 2-hydroperoxydodecanoate?
You can request a quote for Tert-butyl 2-hydroperoxydodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-hydroperoxydodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-hydroperoxydodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.