O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate
TL;DR: O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate (CAS 34443-12-4) is a chemical compound with molecular formula C13H26O4 and molecular weight 246.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexyl (2-methylpropan-2-yl)oxy carbonate
Also Known As: Trigonox 117, Luperox TBEC, Perbutyl E, tert-Butylperoxy 2-ethylhexyl carbonate, PEROXAN BEC
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H26O4 |
| Molecular Weight | 246.1831 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 246.1831 Da |
| Heavy Atoms | 17 |
| Complexity | 208.0 |
| SMILES | CCCCC(CC)COC(=O)OOC(C)(C)C |
| InChIKey | BRQMAAFGEXNUOL-UHFFFAOYSA-N |
Chemical Property Profile of O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate
Property Insights of O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate
The XLogP value of 4.7 indicates that O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate?
The CAS number of O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate is 34443-12-4.
What is the molecular formula of O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate?
The molecular formula of O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate is C13H26O4.
What is the molecular weight of O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate?
The molecular weight of O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate is 246.1831 g/mol.
Where can I buy O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate?
You can request a quote for O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate?
Yes, CoreyChem provides custom synthesis services for O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.