4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane
TL;DR: 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane (CAS 141091-37-4) is a chemical compound with molecular formula C9H17BO2 and molecular weight 168.13216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane
Also Known As: Allylboronic acid pinacol ester, 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, Allyl pinacolborate, Allylboronicacidpinacolester, allyl boronic acid pinacol ester
Technical Specifications
| Molecular Formula | C9H17BO2 |
| Molecular Weight | 168.13216 g/mol |
| XLogP | 2.2646 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.13216 Da |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)CC=C |
| InChIKey | YMHIEPNFCBNQQU-UHFFFAOYSA-N |
Chemical Property Profile of 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane
Property Insights of 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane
The XLogP value of 2.2646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane. With a topological polar surface area (TPSA) of 18.5 Ų, 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane 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 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane?
The CAS number of 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane is 141091-37-4.
What is the molecular formula of 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane?
The molecular formula of 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane is C9H17BO2.
What is the molecular weight of 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane?
The molecular weight of 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane is 168.13216 g/mol.
Where can I buy 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane?
You can request a quote for 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane?
Yes, CoreyChem provides custom synthesis services for 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.