2-tert-Butyloxirane
TL;DR: 2-tert-Butyloxirane (CAS 2245-30-9) 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.
2-tert-butyloxirane
Also Known As: 2-tert-Butyloxirane, 3,3-Dimethyl-1,2-epoxybutane, tert-Butyloxirane, tert-Butylethylene oxide, tert.-butyloxirane
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.6 |
| 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 | 70.0 |
Chemical Identifiers
| CAS Number | 2245-30-9 |
|---|---|
| SMILES | CC(C)(C)C1CO1 |
| InChIKey | HEAYDCIZOFDHRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butyloxirane (CAS 2245-30-9), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 2-tert-butyloxirane.
Chemical Property Profile of 2-tert-Butyloxirane
Property Insights of 2-tert-Butyloxirane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butyloxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-tert-Butyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyloxirane 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 2-tert-Butyloxirane?
The CAS number of 2-tert-Butyloxirane is 2245-30-9.
What is the molecular formula of 2-tert-Butyloxirane?
The molecular formula of 2-tert-Butyloxirane is C6H12O.
What is the molecular weight of 2-tert-Butyloxirane?
The molecular weight of 2-tert-Butyloxirane is 100.09 g/mol.
Where can I buy 2-tert-Butyloxirane?
You can request a quote for 2-tert-Butyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyloxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.