2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid
TL;DR: 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid (CAS 121625-73-8) is a chemical compound with molecular formula C12H16O6 and molecular weight 256.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)butanedioic acid
Also Known As: 2-(4,4-dimethyl-2,6-dioxocyclohexyl)succinic acid, 2-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)butanedioic Acid, 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)succinic acid, 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)butanedioic acid, 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid
Technical Specifications
| Molecular Formula | C12H16O6 |
| Molecular Weight | 256.0947 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0947 Da |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
| SMILES | CC1(CC(=C(C(=O)C1)C(CC(=O)O)C(=O)O)O)C |
| InChIKey | AYLCMDOUMNVYJS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid
Property Insights of 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid. Following Lipinski's Rule of Five, 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid has 3 hydrogen bond donor(s) and 6 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-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid?
The CAS number of 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid is 121625-73-8.
What is the molecular formula of 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid?
The molecular formula of 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid is C12H16O6.
What is the molecular weight of 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid?
The molecular weight of 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid is 256.0947 g/mol.
Where can I buy 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid?
You can request a quote for 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.