1,1,3,3-Tetramethylbutyl hydroperoxide
TL;DR: 1,1,3,3-Tetramethylbutyl hydroperoxide (CAS 5809-08-5) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroperoxy-2,4,4-trimethylpentane
Also Known As: 1,1,3,3-Tetramethylbutyl hydroperoxide, TRIGONOX TMPH, PEROCTA H, tert-octyl hydroperoxide, 2-hydroperoxy-2,4,4-trimethylpentane
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 5809-08-5 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)OO |
| InChIKey | MIRQGKQPLPBZQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,3,3-Tetramethylbutyl hydroperoxide (CAS 5809-08-5), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 2-hydroperoxy-2,4,4-trimethylpentane.
Chemical Property Profile of 1,1,3,3-Tetramethylbutyl hydroperoxide
Property Insights of 1,1,3,3-Tetramethylbutyl hydroperoxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,3,3-Tetramethylbutyl hydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, 1,1,3,3-Tetramethylbutyl hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3,3-Tetramethylbutyl hydroperoxide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,3,3-Tetramethylbutyl hydroperoxide?
The CAS number of 1,1,3,3-Tetramethylbutyl hydroperoxide is 5809-08-5.
What is the molecular formula of 1,1,3,3-Tetramethylbutyl hydroperoxide?
The molecular formula of 1,1,3,3-Tetramethylbutyl hydroperoxide is C8H18O2.
What is the molecular weight of 1,1,3,3-Tetramethylbutyl hydroperoxide?
The molecular weight of 1,1,3,3-Tetramethylbutyl hydroperoxide is 146.13 g/mol.
Where can I buy 1,1,3,3-Tetramethylbutyl hydroperoxide?
You can request a quote for 1,1,3,3-Tetramethylbutyl hydroperoxide 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 hydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3,3-Tetramethylbutyl hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.