![2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane structure](/static/products/161/161616-29-1.webp)
2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane
TL;DR: 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane (CAS 161616-29-1) is a chemical compound with molecular formula C8H17BO3 and molecular weight 172.12708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-(2-methylpropoxy)-1,3,2-dioxaborinane
Also Known As: 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane, 2-isobutoxy-4-methyl-1,3,2-dioxaborinane, 4-methyl-2-(2-methylpropoxy)-1,3,2-dioxaborinane
Technical Specifications
| Molecular Formula | C8H17BO3 |
| Molecular Weight | 172.12708 g/mol |
| XLogP | 1.4693 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.12708 Da |
| Heavy Atoms | 12 |
| Complexity | 129.0 |
| SMILES | B1(OCCC(O1)C)OCC(C)C |
| InChIKey | LLTYSVATVKKZEF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane
Property Insights of 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane
The XLogP value of 1.4693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane. With a topological polar surface area (TPSA) of 27.7 Ų, 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane?
The CAS number of 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane is 161616-29-1.
What is the molecular formula of 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane?
The molecular formula of 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane is C8H17BO3.
What is the molecular weight of 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane?
The molecular weight of 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane is 172.12708 g/mol.
Where can I buy 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane?
You can request a quote for 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane?
Yes, CoreyChem provides custom synthesis services for 2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.