TL;DR: 1-Methoxy-1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclopentane (CAS 158721-94-9) 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-methoxy-1-[3-methyl-3-(2-methylbutan-2-ylperoxy)but-1-ynyl]cyclopentane
Also Known As: 1-methoxy-1-[3-methyl-3-(2-methylbutan-2-ylperoxy)but-1-ynyl]cyclopentane, 1-methoxy-1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclopentane, 1-METHOXY-1-{3-METHYL-3-[(2-METHYLBUTAN-2-YL)PEROXY]BUT-1-YN-1-YL}CYCLOPENTANE
| Molecular Formula | C16H28O3 |
| Molecular Weight | 268.20386 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.20386 Da |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
| SMILES | CCC(C)(C)OOC(C)(C)C#CC1(CCCC1)OC |
| InChIKey | ICPNRVIJQINFKN-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-Methoxy-1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclopentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1-Methoxy-1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclopentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclopentane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Methoxy-1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclopentane is 158721-94-9.
The molecular formula of 1-Methoxy-1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclopentane is C16H28O3.
The molecular weight of 1-Methoxy-1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclopentane is 268.20386 g/mol.
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