TL;DR: Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- (CAS 158721-91-6) is a chemical compound with molecular formula C15H26O3 and molecular weight 254.1882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-tert-butylperoxy-3-methylbut-1-ynyl)cyclohexan-1-ol
Also Known As: Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-, 1-[3-(tert-butylperoxy)-3-methylbut-1-yn-1-yl]cyclohexanol, 1-(3-methyl-3-tert-butylperoxy-but-1-ynyl)cyclohexan-1-ol, 1-(3-tert-butylperoxy-3-methylbut-1-ynyl)cyclohexan-1-ol, 1-(3-(tert-Butylperoxy)-3-methylbut-1-yn-1-yl)cyclohexanol
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.1882 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.1882 Da |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
| SMILES | CC(C)(C)OOC(C)(C)C#CC1(CCCCC1)O |
| InChIKey | KZUDCCMVSPPPHP-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-. With a topological polar surface area (TPSA) of 38.7 Ų, Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- has 1 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 Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- is 158721-91-6.
The molecular formula of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- is C15H26O3.
The molecular weight of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- is 254.1882 g/mol.
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