3-Hydroxy-3-methoxy-2-butanone
TL;DR: 3-Hydroxy-3-methoxy-2-butanone (CAS 61996-25-6) is a chemical compound with molecular formula C5H10O3 and molecular weight 118.062996 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-3-methoxybutan-2-one
Also Known As: 3-hydroxy-3-methoxybutan-2-one, 3-HYDROXY-3-METHOXY-2-BUTANONE, 2-Butanone, 3-hydroxy-3-methoxy- (9CI), J1.622.259C
Technical Specifications
| Molecular Formula | C5H10O3 |
| Molecular Weight | 118.062996 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.062996 Da |
| Heavy Atoms | 8 |
| Complexity | 99.0 |
| SMILES | CC(=O)C(C)(O)OC |
| InChIKey | MVCLPRFXIWTSJC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-3-methoxy-2-butanone
Property Insights of 3-Hydroxy-3-methoxy-2-butanone
The XLogP value of -0.5 indicates that 3-Hydroxy-3-methoxy-2-butanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxy-3-methoxy-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-methoxy-2-butanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-3-methoxy-2-butanone?
The CAS number of 3-Hydroxy-3-methoxy-2-butanone is 61996-25-6.
What is the molecular formula of 3-Hydroxy-3-methoxy-2-butanone?
The molecular formula of 3-Hydroxy-3-methoxy-2-butanone is C5H10O3.
What is the molecular weight of 3-Hydroxy-3-methoxy-2-butanone?
The molecular weight of 3-Hydroxy-3-methoxy-2-butanone is 118.062996 g/mol.
Where can I buy 3-Hydroxy-3-methoxy-2-butanone?
You can request a quote for 3-Hydroxy-3-methoxy-2-butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-3-methoxy-2-butanone?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-3-methoxy-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.