TL;DR: 5-Hydroxy-2-pentanone (CAS 1071-73-4) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxypentan-2-one
Also Known As: 3-Acetyl-1-propanol, 5-Hydroxypentan-2-one, 5-Hydroxy-2-pentanone, 3-Acetopropanol, 3-Acetylpropanol
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.06808 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 59.0 |
| SMILES | CC(=O)CCCO |
| InChIKey | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 5-Hydroxy-2-pentanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Hydroxy-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-2-pentanone 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 5-Hydroxy-2-pentanone is 1071-73-4.
The molecular formula of 5-Hydroxy-2-pentanone is C5H10O2.
The molecular weight of 5-Hydroxy-2-pentanone is 102.06808 g/mol.
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