2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione
TL;DR: 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione (CAS 778-18-7) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4,4,6,6-hexamethylcyclohexane-1,3,5-trione
Also Known As: Hexamethylcyclohexane-1,3,5-trione, 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione, 2,2,4,4,6,6-Hexamethyl-1,3,5-cyclohexanetrione, Hexamethyl-1,3,5-triketo-cyclohexan, 1,3,5-Cyclohexanetrione, 2,2,4,4,6,6-hexamethyl-
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 778-18-7 |
|---|---|
| SMILES | CC1(C(=O)C(C(=O)C(C1=O)(C)C)(C)C)C |
| InChIKey | DXLKLICKNIROHG-UHFFFAOYSA-N |
Product Overview
2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione (CAS 778-18-7), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 2,2,4,4,6,6-hexamethylcyclohexane-1,3,5-trione.
Chemical Property Profile of 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione
Property Insights of 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione. With a topological polar surface area (TPSA) of 51.2 Ų, 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione 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 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione?
The CAS number of 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione is 778-18-7.
What is the molecular formula of 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione?
The molecular formula of 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione is C12H18O3.
What is the molecular weight of 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione?
The molecular weight of 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione is 210.13 g/mol.
Where can I buy 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione?
You can request a quote for 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.