3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-
TL;DR: 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)- (CAS 1129-21-1) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butylcyclohexa-3,5-diene-1,2-dione
Also Known As: 4-tert-butylcyclohexa-3,5-diene-1,2-dione, Pyridine-2,6-diacetyl, starbld0020588, Betahistine Impurity 17, 4-tert-butyl-o-benzoquinone
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 287.0 |
| SMILES | CC(C)(C)C1=CC(=O)C(=O)C=C1 |
| InChIKey | WZJTXQRITQYKKG-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-
Property Insights of 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-. With a topological polar surface area (TPSA) of 34.1 Ų, 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-?
The CAS number of 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)- is 1129-21-1.
What is the molecular formula of 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-?
The molecular formula of 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)- is C10H12O2.
What is the molecular weight of 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-?
The molecular weight of 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)- is 164.08372 g/mol.
Where can I buy 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-?
You can request a quote for 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)-?
Yes, CoreyChem provides custom synthesis services for 3,5-Cyclohexadiene-1,2-dione, 4-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.