2,2,4-Trimethyl-1,3-dioxane
TL;DR: 2,2,4-Trimethyl-1,3-dioxane (CAS 117020-16-3) is a chemical compound with molecular formula CC1CCOC(O1)(C)C and molecular weight 130.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,4-trimethyl-1,3-dioxane
Also Known As: 2,2,4-Trimethyl-1,3-dioxane, CC1(C)OCCC(C)O1, 1,3-Dioxane, 2,2,4-trimethyl-, (S)-, NSC 193330
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CC1CCOC(O1)(C)C |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
| SMILES | CC1CCOC(O1)(C)C |
| InChIKey | JINWMPBLUUKRSV-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,4-Trimethyl-1,3-dioxane
Property Insights of 2,2,4-Trimethyl-1,3-dioxane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trimethyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 2,2,4-Trimethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,3-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 2,2,4-Trimethyl-1,3-dioxane?
The CAS number of 2,2,4-Trimethyl-1,3-dioxane is 117020-16-3.
What is the molecular formula of 2,2,4-Trimethyl-1,3-dioxane?
The molecular formula of 2,2,4-Trimethyl-1,3-dioxane is CC1CCOC(O1)(C)C.
What is the molecular weight of 2,2,4-Trimethyl-1,3-dioxane?
The molecular weight of 2,2,4-Trimethyl-1,3-dioxane is 130.09938 g/mol.
Where can I buy 2,2,4-Trimethyl-1,3-dioxane?
You can request a quote for 2,2,4-Trimethyl-1,3-dioxane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,4-Trimethyl-1,3-dioxane?
Yes, CoreyChem provides custom synthesis services for 2,2,4-Trimethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.