3-Ethyl-2,2-dimethyloxirane
TL;DR: 3-Ethyl-2,2-dimethyloxirane (CAS 1192-22-9) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2,2-dimethyloxirane
Also Known As: 3-Ethyl-2,2-dimethyloxirane, 2,3-Epoxy-2-methylpentane, Oxirane, 3-ethyl-2,2-dimethyl-, 2-methylpentene-2-oxide, Pentane, 2,3-epoxy-2-methyl-
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 1192-22-9 |
|---|---|
| SMILES | CCC1C(O1)(C)C |
| InChIKey | OZVWXRGXOYUQEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-2,2-dimethyloxirane (CAS 1192-22-9), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 3-ethyl-2,2-dimethyloxirane.
Chemical Property Profile of 3-Ethyl-2,2-dimethyloxirane
Property Insights of 3-Ethyl-2,2-dimethyloxirane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2,2-dimethyloxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Ethyl-2,2-dimethyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2,2-dimethyloxirane 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
Frequently Asked Questions
What is the CAS number of 3-Ethyl-2,2-dimethyloxirane?
The CAS number of 3-Ethyl-2,2-dimethyloxirane is 1192-22-9.
What is the molecular formula of 3-Ethyl-2,2-dimethyloxirane?
The molecular formula of 3-Ethyl-2,2-dimethyloxirane is C6H12O.
What is the molecular weight of 3-Ethyl-2,2-dimethyloxirane?
The molecular weight of 3-Ethyl-2,2-dimethyloxirane is 100.09 g/mol.
Where can I buy 3-Ethyl-2,2-dimethyloxirane?
You can request a quote for 3-Ethyl-2,2-dimethyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2,2-dimethyloxirane?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2,2-dimethyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.