3,4-Epoxy-3-ethyl-2-butanone
TL;DR: 3,4-Epoxy-3-ethyl-2-butanone (CAS 17257-82-8) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-ethyloxiran-2-yl)ethanone
Also Known As: 1-(2-ethyloxiran-2-yl)ethanone, 3,4-EPOXY-3-ETHYL-2-BUTANONE, 2-Butanone, 3,4-epoxy-3-ethyl-, 1-(2-Ethyloxiran-2-yl)ethan-1-one, 1-(2-Ethyl-2-oxiranyl)ethanone #
Technical Specifications
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.06808 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 Da |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
| SMILES | CCC1(CO1)C(=O)C |
| InChIKey | KDDYKILYQBLCJL-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Epoxy-3-ethyl-2-butanone
Property Insights of 3,4-Epoxy-3-ethyl-2-butanone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Epoxy-3-ethyl-2-butanone. With a topological polar surface area (TPSA) of 29.6 Ų, 3,4-Epoxy-3-ethyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Epoxy-3-ethyl-2-butanone 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 3,4-Epoxy-3-ethyl-2-butanone?
The CAS number of 3,4-Epoxy-3-ethyl-2-butanone is 17257-82-8.
What is the molecular formula of 3,4-Epoxy-3-ethyl-2-butanone?
The molecular formula of 3,4-Epoxy-3-ethyl-2-butanone is C6H10O2.
What is the molecular weight of 3,4-Epoxy-3-ethyl-2-butanone?
The molecular weight of 3,4-Epoxy-3-ethyl-2-butanone is 114.06808 g/mol.
Where can I buy 3,4-Epoxy-3-ethyl-2-butanone?
You can request a quote for 3,4-Epoxy-3-ethyl-2-butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Epoxy-3-ethyl-2-butanone?
Yes, CoreyChem provides custom synthesis services for 3,4-Epoxy-3-ethyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.