2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione (CAS 146561-00-4) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methanimidoyl-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-(iminomethyl)-5,5-dimethylcyclohexane-1,3-dione, 2-methanimidoyl-5,5-dimethylcyclohexane-1,3-dione
Technical Specifications
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.09464 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.09464 Da |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
| SMILES | CC1(CC(=O)C(C(=O)C1)C=N)C |
| InChIKey | PRWGNIUEPHURJW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 58.0 Ų, 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione has 1 hydrogen bond donor(s) and 3 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-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione is 146561-00-4.
What is the molecular formula of 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione is C9H13NO2.
What is the molecular weight of 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione is 167.09464 g/mol.
Where can I buy 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-Methanimidoyl-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.