1,1,4-Triethoxybut-2-yne
TL;DR: 1,1,4-Triethoxybut-2-yne (CAS 16548-21-3) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,4-triethoxybut-2-yne
Also Known As: 1,1,4-triethoxybut-2-yne, 1,1,4-Triethoxy-2-butyne, J1.355.518D
Technical Specifications
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.1256 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.1256 Da |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
| SMILES | CCOCC#CC(OCC)OCC |
| InChIKey | TVTRMSIXCGVQHK-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,4-Triethoxybut-2-yne
Property Insights of 1,1,4-Triethoxybut-2-yne
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,4-Triethoxybut-2-yne. With a topological polar surface area (TPSA) of 27.7 Ų, 1,1,4-Triethoxybut-2-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,4-Triethoxybut-2-yne 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 1,1,4-Triethoxybut-2-yne?
The CAS number of 1,1,4-Triethoxybut-2-yne is 16548-21-3.
What is the molecular formula of 1,1,4-Triethoxybut-2-yne?
The molecular formula of 1,1,4-Triethoxybut-2-yne is C10H18O3.
What is the molecular weight of 1,1,4-Triethoxybut-2-yne?
The molecular weight of 1,1,4-Triethoxybut-2-yne is 186.1256 g/mol.
Where can I buy 1,1,4-Triethoxybut-2-yne?
You can request a quote for 1,1,4-Triethoxybut-2-yne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,4-Triethoxybut-2-yne?
Yes, CoreyChem provides custom synthesis services for 1,1,4-Triethoxybut-2-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.