2-(1,1-Dimethylethyl)-3-methyloxetane
TL;DR: 2-(1,1-Dimethylethyl)-3-methyloxetane (CAS 7045-82-1) 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-tert-butyl-3-methyloxetane
Also Known As: 2-tert-Butyl-3-methyloxetane, 2-t-butyl-3-methyl oxetan, 2-tert.-Butyl-3-methyl-oxetan, 2-tert-Butyl-3-methyloxetane #, 2-(1,1-Dimethylethyl)-3-methyloxetane
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 7045-82-1 |
|---|---|
| SMILES | CC1COC1C(C)(C)C |
| InChIKey | YZUOZLHQBCFIKB-UHFFFAOYSA-N |
Product Overview
2-(1,1-Dimethylethyl)-3-methyloxetane (CAS 7045-82-1), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 2-tert-butyl-3-methyloxetane.
Chemical Property Profile of 2-(1,1-Dimethylethyl)-3-methyloxetane
Property Insights of 2-(1,1-Dimethylethyl)-3-methyloxetane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dimethylethyl)-3-methyloxetane. With a topological polar surface area (TPSA) of 9.2 Ų, 2-(1,1-Dimethylethyl)-3-methyloxetane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,1-Dimethylethyl)-3-methyloxetane 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-(1,1-Dimethylethyl)-3-methyloxetane?
The CAS number of 2-(1,1-Dimethylethyl)-3-methyloxetane is 7045-82-1.
What is the molecular formula of 2-(1,1-Dimethylethyl)-3-methyloxetane?
The molecular formula of 2-(1,1-Dimethylethyl)-3-methyloxetane is C8H16O.
What is the molecular weight of 2-(1,1-Dimethylethyl)-3-methyloxetane?
The molecular weight of 2-(1,1-Dimethylethyl)-3-methyloxetane is 128.12 g/mol.
Where can I buy 2-(1,1-Dimethylethyl)-3-methyloxetane?
You can request a quote for 2-(1,1-Dimethylethyl)-3-methyloxetane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dimethylethyl)-3-methyloxetane?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dimethylethyl)-3-methyloxetane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.