2-Cyclohexene-1,4-dione, 2-methyl-
TL;DR: 2-Cyclohexene-1,4-dione, 2-methyl- (CAS 113436-11-6) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylcyclohex-2-ene-1,4-dione
Also Known As: 2-methylcyclohex-2-ene-1,4-dione, 2-Cyclohexene-1,4-dione, 2-methyl-, 3-methyl-cyclohex-2-en-1,4-dion
Technical Specifications
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.05243 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.05243 Da |
| Heavy Atoms | 9 |
| Complexity | 189.0 |
| SMILES | CC1=CC(=O)CCC1=O |
| InChIKey | JHISVHDIJOSBDV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cyclohexene-1,4-dione, 2-methyl-
Property Insights of 2-Cyclohexene-1,4-dione, 2-methyl-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexene-1,4-dione, 2-methyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Cyclohexene-1,4-dione, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexene-1,4-dione, 2-methyl- has 0 hydrogen bond donor(s) and 2 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-Cyclohexene-1,4-dione, 2-methyl-?
The CAS number of 2-Cyclohexene-1,4-dione, 2-methyl- is 113436-11-6.
What is the molecular formula of 2-Cyclohexene-1,4-dione, 2-methyl-?
The molecular formula of 2-Cyclohexene-1,4-dione, 2-methyl- is C7H8O2.
What is the molecular weight of 2-Cyclohexene-1,4-dione, 2-methyl-?
The molecular weight of 2-Cyclohexene-1,4-dione, 2-methyl- is 124.05243 g/mol.
Where can I buy 2-Cyclohexene-1,4-dione, 2-methyl-?
You can request a quote for 2-Cyclohexene-1,4-dione, 2-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyclohexene-1,4-dione, 2-methyl-?
Yes, CoreyChem provides custom synthesis services for 2-Cyclohexene-1,4-dione, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.