6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one
TL;DR: 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one (CAS 148460-80-4) is a chemical compound with molecular formula C8H8Cl2O and molecular weight 189.99522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one
Also Known As: Ncq 436, 2, 6-(dichloromethyl)-6-methyl-, 2,4-Cyclohexadien-1-one,6-(dichloromethyl)-6-methyl-, 6-Dichlormethyl-6-methyl-cyclohexa-2,4-dienon, 2,4-Cyclohexadien-1-one, 6-(dichloromethyl)-6-methyl-
Technical Specifications
| Molecular Formula | C8H8Cl2O |
| Molecular Weight | 189.99522 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.99522 Da |
| Heavy Atoms | 11 |
| Complexity | 230.0 |
| SMILES | CC1(C=CC=CC1=O)C(Cl)Cl |
| InChIKey | HAIJPBJRKQUVEB-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one
Property Insights of 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one 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 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one?
The CAS number of 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one is 148460-80-4.
What is the molecular formula of 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one?
The molecular formula of 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one is C8H8Cl2O.
What is the molecular weight of 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one?
The molecular weight of 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one is 189.99522 g/mol.
Where can I buy 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one?
You can request a quote for 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one?
Yes, CoreyChem provides custom synthesis services for 6-(Dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.