1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane
TL;DR: 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane (CAS 3316-11-8) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane, J1.408.601C, 1,3-Cyclohexanedione, 2,2'-ethylidenebis[5,5-dimethyl-, 2,2 -Ethylidenebis(5,5-dimethyl-1,3-cyclohexanedione), 2,2 -Ethylidenebis(5,5-dimethylcyclohexane-1,3-dione)
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 3316-11-8 |
|---|---|
| SMILES | CC(C1C(=O)CC(CC1=O)(C)C)C2C(=O)CC(CC2=O)(C)C |
| InChIKey | FCDITYROBVWZOO-UHFFFAOYSA-N |
Product Overview
1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane (CAS 3316-11-8), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: 2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane
Property Insights of 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane. Following Lipinski's Rule of Five, 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane has 0 hydrogen bond donor(s) and 4 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 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane?
The CAS number of 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane is 3316-11-8.
What is the molecular formula of 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane?
The molecular formula of 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane is C18H26O4.
What is the molecular weight of 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane?
The molecular weight of 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane is 306.18 g/mol.
Where can I buy 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane?
You can request a quote for 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.