2-(2,2-Dimethylpropyl)-2-methyloxirane
TL;DR: 2-(2,2-Dimethylpropyl)-2-methyloxirane (CAS 107-48-2) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropyl)-2-methyloxirane
Also Known As: Diisobutylene oxide, 2-(2,2-dimethylpropyl)-2-methyloxirane, 1,2-Epoxy-2,4,4-trimethylpentane, 1,4,4-trimethylpentane, Oxirane, 2-methyl-2-neopentyl-
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 107-48-2 |
|---|---|
| SMILES | CC1(CO1)CC(C)(C)C |
| InChIKey | WZHRVCOCPMCGEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,2-Dimethylpropyl)-2-methyloxirane (CAS 107-48-2), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 2-(2,2-dimethylpropyl)-2-methyloxirane.
Chemical Property Profile of 2-(2,2-Dimethylpropyl)-2-methyloxirane
Property Insights of 2-(2,2-Dimethylpropyl)-2-methyloxirane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethylpropyl)-2-methyloxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(2,2-Dimethylpropyl)-2-methyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropyl)-2-methyloxirane 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-(2,2-Dimethylpropyl)-2-methyloxirane?
The CAS number of 2-(2,2-Dimethylpropyl)-2-methyloxirane is 107-48-2.
What is the molecular formula of 2-(2,2-Dimethylpropyl)-2-methyloxirane?
The molecular formula of 2-(2,2-Dimethylpropyl)-2-methyloxirane is C8H16O.
What is the molecular weight of 2-(2,2-Dimethylpropyl)-2-methyloxirane?
The molecular weight of 2-(2,2-Dimethylpropyl)-2-methyloxirane is 128.12 g/mol.
Where can I buy 2-(2,2-Dimethylpropyl)-2-methyloxirane?
You can request a quote for 2-(2,2-Dimethylpropyl)-2-methyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethylpropyl)-2-methyloxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropyl)-2-methyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.