4-Methyl-2,3-pentanedione 3-oxime
TL;DR: 4-Methyl-2,3-pentanedione 3-oxime (CAS 121436-02-0) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-hydroxyimino-4-methylpentan-2-one
Also Known As: 4-Methyl-2,3-pentanedione 3-oxime, 3-isonitroso-4-methyl-2-pentanone, 3-Hydroxyimino-4-methyl-2-pentanone, 2,3-Pentanedione, 4-methyl-, 3-oxime, (3Z)-3-hydroxyimino-4-methylpentan-2-one
Technical Specifications
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.07898 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.07898 Da |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
| SMILES | CC(C)/C(=N/O)/C(=O)C |
| InChIKey | KKWRXTVMYYRSMZ-SREVYHEPSA-N |
Chemical Property Profile of 4-Methyl-2,3-pentanedione 3-oxime
Property Insights of 4-Methyl-2,3-pentanedione 3-oxime
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2,3-pentanedione 3-oxime. With a topological polar surface area (TPSA) of 49.7 Ų, 4-Methyl-2,3-pentanedione 3-oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2,3-pentanedione 3-oxime 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 4-Methyl-2,3-pentanedione 3-oxime?
The CAS number of 4-Methyl-2,3-pentanedione 3-oxime is 121436-02-0.
What is the molecular formula of 4-Methyl-2,3-pentanedione 3-oxime?
The molecular formula of 4-Methyl-2,3-pentanedione 3-oxime is C6H11NO2.
What is the molecular weight of 4-Methyl-2,3-pentanedione 3-oxime?
The molecular weight of 4-Methyl-2,3-pentanedione 3-oxime is 129.07898 g/mol.
Where can I buy 4-Methyl-2,3-pentanedione 3-oxime?
You can request a quote for 4-Methyl-2,3-pentanedione 3-oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-2,3-pentanedione 3-oxime?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-2,3-pentanedione 3-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.