3-Methoxy-3-methylbut-1-yne
TL;DR: 3-Methoxy-3-methylbut-1-yne (CAS 13994-57-5) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-3-methylbut-1-yne
Also Known As: 3-methoxy-3-methylbut-1-yne, 1-Butyne, 3-methoxy-3-methyl-, 3-Methoxy-3-methyl-but-1-yne, 3-Methoxy-3-methyl-1-butyne, 3-methoxy-3-methyl-l-butyne
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.0446 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 86.84337 |
Chemical Identifiers
| CAS Number | 13994-57-5 |
|---|---|
| SMILES | CC(C)(C#C)OC |
Product Overview
3-Methoxy-3-methylbut-1-yne (CAS 13994-57-5), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 3-methoxy-3-methylbut-1-yne.
Chemical Property Profile of 3-Methoxy-3-methylbut-1-yne
Property Insights of 3-Methoxy-3-methylbut-1-yne
The XLogP value of 1.0446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-3-methylbut-1-yne. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Methoxy-3-methylbut-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-3-methylbut-1-yne 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-Methoxy-3-methylbut-1-yne?
The CAS number of 3-Methoxy-3-methylbut-1-yne is 13994-57-5.
What is the molecular formula of 3-Methoxy-3-methylbut-1-yne?
The molecular formula of 3-Methoxy-3-methylbut-1-yne is C6H10O.
What is the molecular weight of 3-Methoxy-3-methylbut-1-yne?
The molecular weight of 3-Methoxy-3-methylbut-1-yne is 98.07 g/mol.
Where can I buy 3-Methoxy-3-methylbut-1-yne?
You can request a quote for 3-Methoxy-3-methylbut-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-3-methylbut-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-3-methylbut-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.