Allyl ethyl ether
TL;DR: Allyl ethyl ether (CAS 557-31-3) is a chemical compound with molecular formula C5H10O and molecular weight 86.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxyprop-1-ene
Also Known As: ALLYL ETHYL ETHER, 3-ethoxyprop-1-ene, 3-Ethoxy-1-propene, Ethyl allyl ether, 1-Propene, 3-ethoxy-
| Molecular Formula | C5H10O |
|---|---|
| Molecular Weight | 86.07 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 | 86.073166 |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
| Flash Point | less than -28.3 °C (NFPA, 2010) |
| Vapor Pressure | 153.0 [mmHg] |
Chemical Identifiers
| CAS Number | 557-31-3 |
|---|---|
| SMILES | CCOCC=C |
| InChIKey | OJPSFJLSZZTSDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl ethyl ether (CAS 557-31-3), with molecular formula C5H10O and molecular weight 86.07 g/mol. IUPAC: 3-ethoxyprop-1-ene.
Chemical Property Profile of Allyl ethyl ether
Property Insights of Allyl ethyl ether
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl ethyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Allyl ethyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl ethyl 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 Allyl ethyl ether?
The CAS number of Allyl ethyl ether is 557-31-3.
What is the molecular formula of Allyl ethyl ether?
The molecular formula of Allyl ethyl ether is C5H10O.
What is the molecular weight of Allyl ethyl ether?
The molecular weight of Allyl ethyl ether is 86.07 g/mol.
Where can I buy Allyl ethyl ether?
You can request a quote for Allyl ethyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl ethyl ether?
Yes, KEHONG BIO provides custom synthesis services for Allyl ethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.