TL;DR: 4-Pentyn-2-one, 5-hydroxy- (CAS 64011-43-4) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.03678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxypent-4-yn-2-one
Also Known As: 5-hydroxypent-4-yn-2-one, 1-Hydroxy-2-pentyne-4-one, 4-Pentyn-2-one, 5-hydroxy-, 5-HYDROXY-4-PENTYN-2-ONE, 4-Pentyn-2-one,5-hydroxy-
| Molecular Formula | C5H6O2 |
| Molecular Weight | 98.03678 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.03678 Da |
| Heavy Atoms | 7 |
| Complexity | 124.0 |
| SMILES | CC(=O)CC#CO |
| InChIKey | QGBGTWZGIQMZIY-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentyn-2-one, 5-hydroxy-. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Pentyn-2-one, 5-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentyn-2-one, 5-hydroxy- 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 4-Pentyn-2-one, 5-hydroxy- is 64011-43-4.
The molecular formula of 4-Pentyn-2-one, 5-hydroxy- is C5H6O2.
The molecular weight of 4-Pentyn-2-one, 5-hydroxy- is 98.03678 g/mol.
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