TL;DR: 3-Hydroxy-2-butylperoxy (CAS 131243-59-9) is a chemical compound with molecular formula C4H9O3 and molecular weight 105.05517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 3-Hydroxy-2-butylperoxy, Propyldioxy, 2-hydroxy-1-methyl-, (3-hydroxybutan-2-yl)dioxidanyl
| Molecular Formula | C4H9O3 |
| Molecular Weight | 105.05517 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.05517 Da |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
| SMILES | CC(C(C)O[O])O |
| InChIKey | WGGHTIPUKMWHCR-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that 3-Hydroxy-2-butylperoxy is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.5 Ų, 3-Hydroxy-2-butylperoxy exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-butylperoxy has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Hydroxy-2-butylperoxy is 131243-59-9.
The molecular formula of 3-Hydroxy-2-butylperoxy is C4H9O3.
The molecular weight of 3-Hydroxy-2-butylperoxy is 105.05517 g/mol.
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