3-Ethoxy-3-methyl-1-butyne
TL;DR: 3-Ethoxy-3-methyl-1-butyne (CAS 7740-69-4) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-3-methylbut-1-yne
Also Known As: 3-ethoxy-3-methylbut-1-yne, 3-ETHOXY-3-METHYL-1-BUTYNE, 2-ethoxy-2-methylbut-3-yne, 1-Butyne, 3-ethoxy-3-methyl-, Ether, 1,1-dimethyl-2-propynyl ethyl
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 7740-69-4 |
|---|---|
| SMILES | CCOC(C)(C)C#C |
| InChIKey | POVUIQJVPNHKOS-UHFFFAOYSA-N |
Product Overview
3-Ethoxy-3-methyl-1-butyne (CAS 7740-69-4), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 3-ethoxy-3-methylbut-1-yne.
Chemical Property Profile of 3-Ethoxy-3-methyl-1-butyne
Property Insights of 3-Ethoxy-3-methyl-1-butyne
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-3-methyl-1-butyne. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Ethoxy-3-methyl-1-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-3-methyl-1-butyne has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethoxy-3-methyl-1-butyne?
The CAS number of 3-Ethoxy-3-methyl-1-butyne is 7740-69-4.
What is the molecular formula of 3-Ethoxy-3-methyl-1-butyne?
The molecular formula of 3-Ethoxy-3-methyl-1-butyne is C7H12O.
What is the molecular weight of 3-Ethoxy-3-methyl-1-butyne?
The molecular weight of 3-Ethoxy-3-methyl-1-butyne is 112.09 g/mol.
Where can I buy 3-Ethoxy-3-methyl-1-butyne?
You can request a quote for 3-Ethoxy-3-methyl-1-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-3-methyl-1-butyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-3-methyl-1-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.