2,2-Dimethyloxetane
TL;DR: 2,2-Dimethyloxetane (CAS 6245-99-4) is a chemical compound with molecular formula C5H10O and molecular weight 86.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyloxetane
Also Known As: 2,2-Dimethyloxetane, Oxetane, 2,2-dimethyl-, Oxetane, dimethyl-, 1,3-Epoxy-3-methylbutane, BUTANE, 1,3-EPOXY-3-METHYL-
| Molecular Formula | C5H10O |
|---|---|
| Molecular Weight | 86.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 86.073166 |
| Heavy Atoms | 6 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 6245-99-4 |
|---|---|
| SMILES | CC1(CCO1)C |
| InChIKey | XHYFCIYCSYEDCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyloxetane (CAS 6245-99-4), with molecular formula C5H10O and molecular weight 86.07 g/mol. IUPAC: 2,2-dimethyloxetane.
Chemical Property Profile of 2,2-Dimethyloxetane
Property Insights of 2,2-Dimethyloxetane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyloxetane. With a topological polar surface area (TPSA) of 9.2 Ų, 2,2-Dimethyloxetane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyloxetane 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-Dimethyloxetane?
The CAS number of 2,2-Dimethyloxetane is 6245-99-4.
What is the molecular formula of 2,2-Dimethyloxetane?
The molecular formula of 2,2-Dimethyloxetane is C5H10O.
What is the molecular weight of 2,2-Dimethyloxetane?
The molecular weight of 2,2-Dimethyloxetane is 86.07 g/mol.
Where can I buy 2,2-Dimethyloxetane?
You can request a quote for 2,2-Dimethyloxetane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyloxetane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyloxetane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.