3-Isopropoxy-3-methyl-1-butyne
TL;DR: 3-Isopropoxy-3-methyl-1-butyne (CAS 53907-63-4) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-propan-2-yloxybut-1-yne
Also Known As: 3-Isopropoxy-3-methyl-1-butyne, 3-isopropoxy-3-methylbut-1-yne, 3-methyl-3-propan-2-yloxybut-1-yne, 3-Isopropoxy-3-methyl-1-butyne #, 1-Butyne, 3-methyl-3-(1-methylethoxy)-
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 53907-63-4 |
|---|---|
| SMILES | CC(C)OC(C)(C)C#C |
| InChIKey | UFUKPFOCIGKDCB-UHFFFAOYSA-N |
Product Overview
3-Isopropoxy-3-methyl-1-butyne (CAS 53907-63-4), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 3-methyl-3-propan-2-yloxybut-1-yne.
Chemical Property Profile of 3-Isopropoxy-3-methyl-1-butyne
Property Insights of 3-Isopropoxy-3-methyl-1-butyne
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropoxy-3-methyl-1-butyne. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Isopropoxy-3-methyl-1-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropoxy-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-Isopropoxy-3-methyl-1-butyne?
The CAS number of 3-Isopropoxy-3-methyl-1-butyne is 53907-63-4.
What is the molecular formula of 3-Isopropoxy-3-methyl-1-butyne?
The molecular formula of 3-Isopropoxy-3-methyl-1-butyne is C8H14O.
What is the molecular weight of 3-Isopropoxy-3-methyl-1-butyne?
The molecular weight of 3-Isopropoxy-3-methyl-1-butyne is 126.10 g/mol.
Where can I buy 3-Isopropoxy-3-methyl-1-butyne?
You can request a quote for 3-Isopropoxy-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-Isopropoxy-3-methyl-1-butyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropoxy-3-methyl-1-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.