2,2-Dimethyl-1,3,5-cyclohexanetrione
TL;DR: 2,2-Dimethyl-1,3,5-cyclohexanetrione (CAS 2065-00-1) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylcyclohexane-1,3,5-trione
Also Known As: Filicinic acid, 2,2-dimethylcyclohexane-1,3,5-trione, FILICINIC ACID [MI], 1,1-dimethylcyclohexane-2,4,6-trione, GEM-DIMETHYLPHLOROGLUCINOL
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 2065-00-1 |
|---|---|
| SMILES | CC1(C(=O)CC(=O)CC1=O)C |
| InChIKey | GMHAPDVDHWIVSN-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-1,3,5-cyclohexanetrione (CAS 2065-00-1), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: 2,2-dimethylcyclohexane-1,3,5-trione.
Chemical Property Profile of 2,2-Dimethyl-1,3,5-cyclohexanetrione
Property Insights of 2,2-Dimethyl-1,3,5-cyclohexanetrione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3,5-cyclohexanetrione. With a topological polar surface area (TPSA) of 51.2 Ų, 2,2-Dimethyl-1,3,5-cyclohexanetrione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3,5-cyclohexanetrione 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 2,2-Dimethyl-1,3,5-cyclohexanetrione?
The CAS number of 2,2-Dimethyl-1,3,5-cyclohexanetrione is 2065-00-1.
What is the molecular formula of 2,2-Dimethyl-1,3,5-cyclohexanetrione?
The molecular formula of 2,2-Dimethyl-1,3,5-cyclohexanetrione is C8H10O3.
What is the molecular weight of 2,2-Dimethyl-1,3,5-cyclohexanetrione?
The molecular weight of 2,2-Dimethyl-1,3,5-cyclohexanetrione is 154.06 g/mol.
Where can I buy 2,2-Dimethyl-1,3,5-cyclohexanetrione?
You can request a quote for 2,2-Dimethyl-1,3,5-cyclohexanetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3,5-cyclohexanetrione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3,5-cyclohexanetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.