4-Methyl-1-pentenylboronic acid
TL;DR: 4-Methyl-1-pentenylboronic acid (CAS 1036988-60-9) 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.
[(E)-4-methylpent-1-enyl]boronic acid
Also Known As: (4-Methylpent-1-en-1-yl)boronic acid, 4-METHYL-1-PENTENYLBORONIC ACID, Rarechem ah pb 0237, (E)-(4-methylpent-1-en-1-yl)boronic acid, 4-methylpent-1-enylboronic 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 | 3 |
| Exact Mass | 128.10086 Da |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
| SMILES | B(/C=C/CC(C)C)(O)O |
| InChIKey | OLTGERMANPOCTC-HWKANZROSA-N |
Chemical Property Profile of 4-Methyl-1-pentenylboronic acid
Property Insights of 4-Methyl-1-pentenylboronic acid
The XLogP value of 0.6007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-pentenylboronic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Methyl-1-pentenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-pentenylboronic 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 4-Methyl-1-pentenylboronic acid?
The CAS number of 4-Methyl-1-pentenylboronic acid is 1036988-60-9.
What is the molecular formula of 4-Methyl-1-pentenylboronic acid?
The molecular formula of 4-Methyl-1-pentenylboronic acid is C6H13BO2.
What is the molecular weight of 4-Methyl-1-pentenylboronic acid?
The molecular weight of 4-Methyl-1-pentenylboronic acid is 128.10086 g/mol.
Where can I buy 4-Methyl-1-pentenylboronic acid?
You can request a quote for 4-Methyl-1-pentenylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-1-pentenylboronic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-1-pentenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.