1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate
TL;DR: 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate (CAS 22288-43-3) is a chemical compound with molecular formula C16H32O3 and molecular weight 272.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylpentan-2-yl 2-ethylhexaneperoxoate
Also Known As: 2,4,4-trimethylpentan-2-yl 2-ethylhexaneperoxoate, EC 244-894-2, 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate, Hexaneperoxoic acid, 2-ethyl-, 1,1,3,3-tetramethylbutyl ester, 1,1,3,3-tetramethyl butyl peroxy-2-ethyl hexanoate
| Molecular Formula | C16H32O3 |
|---|---|
| Molecular Weight | 272.24 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 272.23514 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 22288-43-3 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OOC(C)(C)CC(C)(C)C |
| InChIKey | RFLMOBVJXKBPQW-UHFFFAOYSA-N |
Product Overview
1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate (CAS 22288-43-3), with molecular formula C16H32O3 and molecular weight 272.24 g/mol. IUPAC: 2,4,4-trimethylpentan-2-yl 2-ethylhexaneperoxoate.
Chemical Property Profile of 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate
Property Insights of 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate
The XLogP value of 5.7 indicates that 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate 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 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate?
The CAS number of 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate is 22288-43-3.
What is the molecular formula of 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate?
The molecular formula of 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate is C16H32O3.
What is the molecular weight of 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate?
The molecular weight of 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate is 272.24 g/mol.
Where can I buy 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate?
You can request a quote for 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.