Bis(3,5,5-trimethylhexyl) peroxydicarbonate
TL;DR: Bis(3,5,5-trimethylhexyl) peroxydicarbonate (CAS 4113-15-9) is a chemical compound with molecular formula C20H38O6 and molecular weight 374.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylhexoxy 3,5,5-trimethylhexoxycarbonyl carbonate
Also Known As: Bis(3,5,5-trimethylhexyl) peroxydicarbonate, bis-(3,5,5-Trimethylhexyl) peroxydicarbonate, r-2-ethyl-5-methyl-c-5-(2-methylbenzyloxy)-1,3-dioxane, 3,5,5-trimethylhexoxy 3,5,5-trimethylhexoxycarbonyl carbonate, 3,5,5-Trimethylhexyl [(3,5,5-trimethylhexyl)peroxy]carbonyl carbonate
| Molecular Formula | C20H38O6 |
|---|---|
| Molecular Weight | 374.27 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 374.26685 |
| Heavy Atoms | 26 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 4113-15-9 |
|---|---|
| SMILES | CC(CCOC(=O)OC(=O)OOCCC(C)CC(C)(C)C)CC(C)(C)C |
| InChIKey | YFQXNKZAUQAFBO-UHFFFAOYSA-N |
Product Overview
Bis(3,5,5-trimethylhexyl) peroxydicarbonate (CAS 4113-15-9), with molecular formula C20H38O6 and molecular weight 374.27 g/mol. IUPAC: 3,5,5-trimethylhexoxy 3,5,5-trimethylhexoxycarbonyl carbonate.
Chemical Property Profile of Bis(3,5,5-trimethylhexyl) peroxydicarbonate
Property Insights of Bis(3,5,5-trimethylhexyl) peroxydicarbonate
The XLogP value of 7.6 indicates that Bis(3,5,5-trimethylhexyl) peroxydicarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(3,5,5-trimethylhexyl) peroxydicarbonate. Following Lipinski's Rule of Five, Bis(3,5,5-trimethylhexyl) peroxydicarbonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(3,5,5-trimethylhexyl) peroxydicarbonate?
The CAS number of Bis(3,5,5-trimethylhexyl) peroxydicarbonate is 4113-15-9.
What is the molecular formula of Bis(3,5,5-trimethylhexyl) peroxydicarbonate?
The molecular formula of Bis(3,5,5-trimethylhexyl) peroxydicarbonate is C20H38O6.
What is the molecular weight of Bis(3,5,5-trimethylhexyl) peroxydicarbonate?
The molecular weight of Bis(3,5,5-trimethylhexyl) peroxydicarbonate is 374.27 g/mol.
Where can I buy Bis(3,5,5-trimethylhexyl) peroxydicarbonate?
You can request a quote for Bis(3,5,5-trimethylhexyl) peroxydicarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,5,5-trimethylhexyl) peroxydicarbonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,5,5-trimethylhexyl) peroxydicarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.