3-Tert-butylcyclobut-3-ene-1,2-dione
TL;DR: 3-Tert-butylcyclobut-3-ene-1,2-dione (CAS 114094-85-8) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butylcyclobut-3-ene-1,2-dione
Also Known As: 3-tert-butylcyclobut-3-ene-1,2-dione, 3-(tert-butyl)cyclobut-3-ene-1,2-dione, AN-967/25120007
Technical Specifications
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.06808 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.06808 Da |
| Heavy Atoms | 10 |
| Complexity | 228.0 |
| SMILES | CC(C)(C)C1=CC(=O)C1=O |
| InChIKey | VFHJARAFNGZNKQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Tert-butylcyclobut-3-ene-1,2-dione
Property Insights of 3-Tert-butylcyclobut-3-ene-1,2-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butylcyclobut-3-ene-1,2-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Tert-butylcyclobut-3-ene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butylcyclobut-3-ene-1,2-dione 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-Tert-butylcyclobut-3-ene-1,2-dione?
The CAS number of 3-Tert-butylcyclobut-3-ene-1,2-dione is 114094-85-8.
What is the molecular formula of 3-Tert-butylcyclobut-3-ene-1,2-dione?
The molecular formula of 3-Tert-butylcyclobut-3-ene-1,2-dione is C8H10O2.
What is the molecular weight of 3-Tert-butylcyclobut-3-ene-1,2-dione?
The molecular weight of 3-Tert-butylcyclobut-3-ene-1,2-dione is 138.06808 g/mol.
Where can I buy 3-Tert-butylcyclobut-3-ene-1,2-dione?
You can request a quote for 3-Tert-butylcyclobut-3-ene-1,2-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Tert-butylcyclobut-3-ene-1,2-dione?
Yes, CoreyChem provides custom synthesis services for 3-Tert-butylcyclobut-3-ene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.