2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one
TL;DR: 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one (CAS 14790-04-6) is a chemical compound with molecular formula C12H18O and molecular weight 178.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,4,5,6-hexamethylcyclohexa-2,5-dien-1-one
Also Known As: starbld0032570, 2,3,4,4,5,6-hexamethylcyclohexa-2,5-dien-1-one, HEXAMETHYLCYCLOHEXA-2,5-DIEN-1-ONE, 2,3,4,4,5,6-hexamethylcyclohexadienone, 2,5-cyclohexadien-1-one, 2,3,4,4,5,6-hexamethyl-
Technical Specifications
| Molecular Formula | C12H18O |
| Molecular Weight | 178.13577 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.13577 Da |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
| SMILES | CC1=C(C(C(=C(C1=O)C)C)(C)C)C |
| InChIKey | MVGMUUAWHJAZQB-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one
Property Insights of 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-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 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one?
The CAS number of 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one is 14790-04-6.
What is the molecular formula of 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one?
The molecular formula of 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one is C12H18O.
What is the molecular weight of 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one?
The molecular weight of 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one is 178.13577 g/mol.
Where can I buy 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one?
You can request a quote for 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one?
Yes, CoreyChem provides custom synthesis services for 2,3,4,4,5,6-Hexamethylcyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.