1-Ethoxy-3-methyl-2-butene
TL;DR: 1-Ethoxy-3-methyl-2-butene (CAS 22094-00-4) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-3-methylbut-2-ene
Also Known As: 1-ethoxy-3-methylbut-2-ene, 1-Ethoxy-3-methyl-2-butene, Prenyl ethyl ether, Prenylethyl ether, Ethyl 3-methyl-2-butenyl ether
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.9891 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 70.45601 |
Chemical Identifiers
| CAS Number | 22094-00-4 |
|---|---|
| SMILES | CCOCC=C(C)C |
Product Overview
1-Ethoxy-3-methyl-2-butene (CAS 22094-00-4), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 1-ethoxy-3-methylbut-2-ene.
Chemical Property Profile of 1-Ethoxy-3-methyl-2-butene
Property Insights of 1-Ethoxy-3-methyl-2-butene
The XLogP value of 1.9891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxy-3-methyl-2-butene. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Ethoxy-3-methyl-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-3-methyl-2-butene 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 1-Ethoxy-3-methyl-2-butene?
The CAS number of 1-Ethoxy-3-methyl-2-butene is 22094-00-4.
What is the molecular formula of 1-Ethoxy-3-methyl-2-butene?
The molecular formula of 1-Ethoxy-3-methyl-2-butene is C7H14O.
What is the molecular weight of 1-Ethoxy-3-methyl-2-butene?
The molecular weight of 1-Ethoxy-3-methyl-2-butene is 114.10 g/mol.
Where can I buy 1-Ethoxy-3-methyl-2-butene?
You can request a quote for 1-Ethoxy-3-methyl-2-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-3-methyl-2-butene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-3-methyl-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.