1-(Trimethyloxiranyl)ethanone
TL;DR: 1-(Trimethyloxiranyl)ethanone (CAS 15120-99-7) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,3,3-trimethyloxiran-2-yl)ethanone
Also Known As: 1-(TRIMETHYLOXIRANYL)ETHANONE, 1-(2,3,3-trimethyloxiran-2-yl)ethanone, Ethanone, 1-(trimethyloxiranyl)-, 1-(2,3,3-Trimethyloxirane-2-yl)ethanone, 2-Pentanone, 3,4-epoxy-3,4-dimethyl-
Technical Specifications
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08372 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.08372 Da |
| Heavy Atoms | 9 |
| Complexity | 160.0 |
| SMILES | CC(=O)C1(C(O1)(C)C)C |
| InChIKey | WBHTXOSVODIGTN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Trimethyloxiranyl)ethanone
Property Insights of 1-(Trimethyloxiranyl)ethanone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Trimethyloxiranyl)ethanone. With a topological polar surface area (TPSA) of 29.6 Ų, 1-(Trimethyloxiranyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trimethyloxiranyl)ethanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Trimethyloxiranyl)ethanone?
The CAS number of 1-(Trimethyloxiranyl)ethanone is 15120-99-7.
What is the molecular formula of 1-(Trimethyloxiranyl)ethanone?
The molecular formula of 1-(Trimethyloxiranyl)ethanone is C7H12O2.
What is the molecular weight of 1-(Trimethyloxiranyl)ethanone?
The molecular weight of 1-(Trimethyloxiranyl)ethanone is 128.08372 g/mol.
Where can I buy 1-(Trimethyloxiranyl)ethanone?
You can request a quote for 1-(Trimethyloxiranyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Trimethyloxiranyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(Trimethyloxiranyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.