2-Methoxy-2,6,6-trimethylheptane-3,5-dione
TL;DR: 2-Methoxy-2,6,6-trimethylheptane-3,5-dione (CAS 138201-84-0) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-2,6,6-trimethylheptane-3,5-dione
Also Known As: 2-methoxy-2,6,6-trimethylheptane-3,5-dione, 2,6,6-trimethyl-2-methoxy-3,5-heptanedione, BIM-0014044.P001, 2,2,6-Trimethyl-6-methoxy-3,5-heptanedione, 2-methoxy-2,6,6-trimethyl-3,5-heptanedione
Technical Specifications
| Molecular Formula | C11H20O3 |
| Molecular Weight | 200.14125 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.14125 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | CC(C)(C)C(=O)CC(=O)C(C)(C)OC |
| InChIKey | PXJCDOSDACXFTB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methoxy-2,6,6-trimethylheptane-3,5-dione
Property Insights of 2-Methoxy-2,6,6-trimethylheptane-3,5-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-2,6,6-trimethylheptane-3,5-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methoxy-2,6,6-trimethylheptane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-2,6,6-trimethylheptane-3,5-dione 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-Methoxy-2,6,6-trimethylheptane-3,5-dione?
The CAS number of 2-Methoxy-2,6,6-trimethylheptane-3,5-dione is 138201-84-0.
What is the molecular formula of 2-Methoxy-2,6,6-trimethylheptane-3,5-dione?
The molecular formula of 2-Methoxy-2,6,6-trimethylheptane-3,5-dione is C11H20O3.
What is the molecular weight of 2-Methoxy-2,6,6-trimethylheptane-3,5-dione?
The molecular weight of 2-Methoxy-2,6,6-trimethylheptane-3,5-dione is 200.14125 g/mol.
Where can I buy 2-Methoxy-2,6,6-trimethylheptane-3,5-dione?
You can request a quote for 2-Methoxy-2,6,6-trimethylheptane-3,5-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methoxy-2,6,6-trimethylheptane-3,5-dione?
Yes, CoreyChem provides custom synthesis services for 2-Methoxy-2,6,6-trimethylheptane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.