1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol
TL;DR: 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol (CAS 158721-92-7) is a chemical compound with molecular formula C16H28O3 and molecular weight 268.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-methyl-3-(2-methylbutan-2-ylperoxy)but-1-ynyl]cyclohexan-1-ol
Also Known As: 1-[3-methyl-3-(2-methylbutan-2-ylperoxy)but-1-ynyl]cyclohexan-1-ol, 1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol, 1-{3-methyl-3-[(2-methylbutan-2-yl)peroxy]but-1-yn-1-yl}cyclohexanol
Technical Specifications
| Molecular Formula | C16H28O3 |
| Molecular Weight | 268.20386 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.20386 Da |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
| SMILES | CCC(C)(C)OOC(C)(C)C#CC1(CCCCC1)O |
| InChIKey | ASGSNFVPWSSLJK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol
Property Insights of 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol
The XLogP value of 3.2 indicates that 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol?
The CAS number of 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol is 158721-92-7.
What is the molecular formula of 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol?
The molecular formula of 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol is C16H28O3.
What is the molecular weight of 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol?
The molecular weight of 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol is 268.20386 g/mol.
Where can I buy 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol?
You can request a quote for 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol?
Yes, CoreyChem provides custom synthesis services for 1-(3-Methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.