3,3-dimethylbut-1-enylboronic Acid
TL;DR: 3,3-dimethylbut-1-enylboronic Acid (CAS 121021-32-7) is a chemical compound with molecular formula C6H13BO2 and molecular weight 128.10086 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethylbut-1-enylboronic acid
Also Known As: 3,3-Dimethyl-1-butenylboronic acid, 2-t-Butyl-E-vinylboronic acid, 3,3-dimethylbut-1-enylboronic Acid, (E)-(3,3-Dimethylbut-1-en-1-yl)boronic acid, 2-tert-butyl vinyl boronic acid
Technical Specifications
| Molecular Formula | C6H13BO2 |
| Molecular Weight | 128.10086 g/mol |
| XLogP | 0.6007 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.10086 Da |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
| SMILES | B(C=CC(C)(C)C)(O)O |
| InChIKey | CTIWKIMYFQSVBZ-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-dimethylbut-1-enylboronic Acid
Property Insights of 3,3-dimethylbut-1-enylboronic Acid
The XLogP value of 0.6007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethylbut-1-enylboronic Acid. With a topological polar surface area (TPSA) of 40.5 Ų, 3,3-dimethylbut-1-enylboronic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethylbut-1-enylboronic Acid has 2 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 3,3-dimethylbut-1-enylboronic Acid?
The CAS number of 3,3-dimethylbut-1-enylboronic Acid is 121021-32-7.
What is the molecular formula of 3,3-dimethylbut-1-enylboronic Acid?
The molecular formula of 3,3-dimethylbut-1-enylboronic Acid is C6H13BO2.
What is the molecular weight of 3,3-dimethylbut-1-enylboronic Acid?
The molecular weight of 3,3-dimethylbut-1-enylboronic Acid is 128.10086 g/mol.
Where can I buy 3,3-dimethylbut-1-enylboronic Acid?
You can request a quote for 3,3-dimethylbut-1-enylboronic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-dimethylbut-1-enylboronic Acid?
Yes, CoreyChem provides custom synthesis services for 3,3-dimethylbut-1-enylboronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.