6,6-Dimethyl-2,5,10-undecanetrione
TL;DR: 6,6-Dimethyl-2,5,10-undecanetrione (CAS 50464-96-5) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethylundecane-2,5,10-trione
Also Known As: 6,6-dimethylundecane-2,5,10-trione, 6,6-DIMETHYL-2,5,10-UNDECANETRIONE, 2,5,10-Undecanetrione, 6,6-dimethyl-, 6,6-dimethylundecan-2,5,10-trione, 6,6-Dimethyl-2,5,10-undecanetrione #
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 50464-96-5 |
|---|---|
| SMILES | CC(=O)CCCC(C)(C)C(=O)CCC(=O)C |
| InChIKey | ZASZETBXFSDFOD-UHFFFAOYSA-N |
Product Overview
6,6-Dimethyl-2,5,10-undecanetrione (CAS 50464-96-5), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: 6,6-dimethylundecane-2,5,10-trione.
Chemical Property Profile of 6,6-Dimethyl-2,5,10-undecanetrione
Property Insights of 6,6-Dimethyl-2,5,10-undecanetrione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-2,5,10-undecanetrione. With a topological polar surface area (TPSA) of 51.2 Ų, 6,6-Dimethyl-2,5,10-undecanetrione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-Dimethyl-2,5,10-undecanetrione 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
Frequently Asked Questions
What is the CAS number of 6,6-Dimethyl-2,5,10-undecanetrione?
The CAS number of 6,6-Dimethyl-2,5,10-undecanetrione is 50464-96-5.
What is the molecular formula of 6,6-Dimethyl-2,5,10-undecanetrione?
The molecular formula of 6,6-Dimethyl-2,5,10-undecanetrione is C13H22O3.
What is the molecular weight of 6,6-Dimethyl-2,5,10-undecanetrione?
The molecular weight of 6,6-Dimethyl-2,5,10-undecanetrione is 226.16 g/mol.
Where can I buy 6,6-Dimethyl-2,5,10-undecanetrione?
You can request a quote for 6,6-Dimethyl-2,5,10-undecanetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-2,5,10-undecanetrione?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-2,5,10-undecanetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.