2-Butanone, 3-iodo-3-methyl-
TL;DR: 2-Butanone, 3-iodo-3-methyl- (CAS 113613-35-7) is a chemical compound with molecular formula C5H9IO and molecular weight 211.9698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iodo-3-methylbutan-2-one
Also Known As: 2-Butanone, 3-iodo-3-methyl-, 3-iodo-3-methylbutan-2-one, 2-Butanone,3-iodo-3-methyl
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9IO |
| Molecular Weight | 211.9698 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.9698 Da |
| Heavy Atoms | 7 |
| Complexity | 86.0 |
| SMILES | CC(=O)C(C)(C)I |
| InChIKey | AMAJPSBXXMYTFM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butanone, 3-iodo-3-methyl-
Property Insights of 2-Butanone, 3-iodo-3-methyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3-iodo-3-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butanone, 3-iodo-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3-iodo-3-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butanone, 3-iodo-3-methyl-?
The CAS number of 2-Butanone, 3-iodo-3-methyl- is 113613-35-7.
What is the molecular formula of 2-Butanone, 3-iodo-3-methyl-?
The molecular formula of 2-Butanone, 3-iodo-3-methyl- is C5H9IO.
What is the molecular weight of 2-Butanone, 3-iodo-3-methyl-?
The molecular weight of 2-Butanone, 3-iodo-3-methyl- is 211.9698 g/mol.
Where can I buy 2-Butanone, 3-iodo-3-methyl-?
You can request a quote for 2-Butanone, 3-iodo-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butanone, 3-iodo-3-methyl-?
Yes, CoreyChem provides custom synthesis services for 2-Butanone, 3-iodo-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.