2-tert-Butyl-6-methyl-1,3-dioxan-4-one
TL;DR: 2-tert-Butyl-6-methyl-1,3-dioxan-4-one (CAS 100017-18-3) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-6-methyl-1,3-dioxan-4-one
Also Known As: 2-tert-Butyl-6-methyl-1,3-dioxan-4-one, (2R,6R)-2-tert-Butyl-6-methyl-1,3-dioxan-4-one, 2-tert-Butyl-6-methyl-1,3-dioxan-4-one #, 1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-, 1,3-Dioxan-4-one,2-(1,1-dimethylethyl)-6-methyl-, (2R,6R)-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.10994 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10994 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CC1CC(=O)OC(O1)C(C)(C)C |
| InChIKey | SFWUTHYTQUXJTB-UHFFFAOYSA-N |
Product Description
Applications: 2-tert-Butyl-6-methyl-1,3-dioxan-4-one is used in imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-tert-Butyl-6-methyl-1,3-dioxan-4-one is a photographic chemical identified by CAS number 100017-18-3 and the molecular formula C9H16O3 and a molecular weight of 172.11 g/mol. Synonyms include ACMC-20doej and 2-tert-Butyl-6-methyl-1,3-dioxan-4-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-tert-Butyl-6-methyl-1,3-dioxan-4-one
Property Insights of 2-tert-Butyl-6-methyl-1,3-dioxan-4-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butyl-6-methyl-1,3-dioxan-4-one. With a topological polar surface area (TPSA) of 35.5 Ų, 2-tert-Butyl-6-methyl-1,3-dioxan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-6-methyl-1,3-dioxan-4-one has 0 hydrogen bond donor(s) and 3 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-tert-Butyl-6-methyl-1,3-dioxan-4-one?
The CAS number of 2-tert-Butyl-6-methyl-1,3-dioxan-4-one is 100017-18-3.
What is the molecular formula of 2-tert-Butyl-6-methyl-1,3-dioxan-4-one?
The molecular formula of 2-tert-Butyl-6-methyl-1,3-dioxan-4-one is C9H16O3.
What is the molecular weight of 2-tert-Butyl-6-methyl-1,3-dioxan-4-one?
The molecular weight of 2-tert-Butyl-6-methyl-1,3-dioxan-4-one is 172.10994 g/mol.
What are the applications of 2-tert-Butyl-6-methyl-1,3-dioxan-4-one?
2-tert-Butyl-6-methyl-1,3-dioxan-4-one is used in imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy 2-tert-Butyl-6-methyl-1,3-dioxan-4-one?
You can request a quote for 2-tert-Butyl-6-methyl-1,3-dioxan-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-tert-Butyl-6-methyl-1,3-dioxan-4-one?
Yes, CoreyChem provides custom synthesis services for 2-tert-Butyl-6-methyl-1,3-dioxan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.