(6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone
TL;DR: (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone (CAS 131984-52-6) is a chemical compound with molecular formula C15H17ClO and molecular weight 248.09679 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6E)-6-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclohexan-1-one
Also Known As: (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone, (E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone, (6E)-6-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclohexan-1-one
Technical Specifications
| Molecular Formula | C15H17ClO |
| Molecular Weight | 248.09679 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.09679 Da |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
| SMILES | CC1(CCC/C(=C\C2=CC=C(C=C2)Cl)/C1=O)C |
| InChIKey | UROINPCTKGKEHG-ZRDIBKRKSA-N |
Chemical Property Profile of (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone
Property Insights of (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone
The XLogP value of 4.6 indicates that (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone?
The CAS number of (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone is 131984-52-6.
What is the molecular formula of (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone?
The molecular formula of (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone is C15H17ClO.
What is the molecular weight of (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone?
The molecular weight of (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone is 248.09679 g/mol.
Where can I buy (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone?
You can request a quote for (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone?
Yes, CoreyChem provides custom synthesis services for (6E)-6-(4-chlorobenzylidene)-2,2-dimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.