Dimethylvinylethynylmethanol butyl ether
TL;DR: Dimethylvinylethynylmethanol butyl ether (CAS 819-41-0) is a chemical compound with molecular formula CCCCOC(C)(C)C#CC=C and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butoxy-5-methylhex-1-en-3-yne
Also Known As: 5-butoxy-5-methylhex-1-en-3-yne, Dimethylvinylethynylmethanol butyl ether, 5-butoxy-5-methyl-hex-1-en-3-yne, 2-Butyloxy-2-methyl-hex-5-en-3-in
| Molecular Formula | CCCCOC(C)(C)C#CC=C |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 819-41-0 |
|---|---|
| SMILES | CCCCOC(C)(C)C#CC=C |
| InChIKey | OUIQSMDXNSJEQD-UHFFFAOYSA-N |
Product Overview
Dimethylvinylethynylmethanol butyl ether (CAS 819-41-0), with molecular formula CCCCOC(C)(C)C#CC=C and molecular weight 166.14 g/mol. IUPAC: 5-butoxy-5-methylhex-1-en-3-yne.
Chemical Property Profile of Dimethylvinylethynylmethanol butyl ether
Property Insights of Dimethylvinylethynylmethanol butyl ether
The XLogP value of 3.0 indicates that Dimethylvinylethynylmethanol butyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Dimethylvinylethynylmethanol butyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylvinylethynylmethanol butyl ether 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 Dimethylvinylethynylmethanol butyl ether?
The CAS number of Dimethylvinylethynylmethanol butyl ether is 819-41-0.
What is the molecular formula of Dimethylvinylethynylmethanol butyl ether?
The molecular formula of Dimethylvinylethynylmethanol butyl ether is CCCCOC(C)(C)C#CC=C.
What is the molecular weight of Dimethylvinylethynylmethanol butyl ether?
The molecular weight of Dimethylvinylethynylmethanol butyl ether is 166.14 g/mol.
Where can I buy Dimethylvinylethynylmethanol butyl ether?
You can request a quote for Dimethylvinylethynylmethanol butyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylvinylethynylmethanol butyl ether?
Yes, KEHONG BIO provides custom synthesis services for Dimethylvinylethynylmethanol butyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.