Dimethyl-1,4-dioxane
TL;DR: Dimethyl-1,4-dioxane (CAS 15176-21-3) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-1,4-dioxane
Also Known As: Dimethyldioxane, 2,5-Dimethyl-1,4-dioxane, Dimetildioxano, Dimethyl-1,4-dioxane, Dimethyldioxanes
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Flash Point | 75 °F (NFPA, 2010) |
| SMILES | CC1COC(CO1)C |
| InChIKey | AWBIJARKDOFDAN-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl-1,4-dioxane
Property Insights of Dimethyl-1,4-dioxane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl-1,4-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, Dimethyl-1,4-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl-1,4-dioxane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dimethyl-1,4-dioxane?
The CAS number of Dimethyl-1,4-dioxane is 15176-21-3.
What is the molecular formula of Dimethyl-1,4-dioxane?
The molecular formula of Dimethyl-1,4-dioxane is C6H12O2.
What is the molecular weight of Dimethyl-1,4-dioxane?
The molecular weight of Dimethyl-1,4-dioxane is 116.08373 g/mol.
Where can I buy Dimethyl-1,4-dioxane?
You can request a quote for Dimethyl-1,4-dioxane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl-1,4-dioxane?
Yes, CoreyChem provides custom synthesis services for Dimethyl-1,4-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.