2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione
TL;DR: 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione (CAS 101386-04-3) is a chemical compound with molecular formula C10H13ClO3 and molecular weight 216.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione, 2-acetyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione, BAS 00701527, 1-acetyl-3-chloro-4,4-dimethyl-2,6-dioxocyclohexane, 2-acetyl-4-chloro-5,5-dimethyl-1,3-cyclohexanedione
Technical Specifications
| Molecular Formula | C10H13ClO3 |
| Molecular Weight | 216.05533 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.05533 Da |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
| SMILES | CC(=O)C1C(=O)CC(C(C1=O)Cl)(C)C |
| InChIKey | BHVFIYRNSPTPPG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione
Property Insights of 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 51.2 Ų, 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione 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
What is the CAS number of 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione?
The CAS number of 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione is 101386-04-3.
What is the molecular formula of 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione?
The molecular formula of 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione is C10H13ClO3.
What is the molecular weight of 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione?
The molecular weight of 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione is 216.05533 g/mol.
Where can I buy 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione?
You can request a quote for 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.