Diallyl ether
TL;DR: Diallyl ether (CAS 557-40-4) 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-prop-2-enoxyprop-1-ene
Also Known As: ALLYL ETHER, Diallyl ether, Allylether, Ether, diallyl, Diallylether
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 49.0 |
| Melting Point | -6 °C |
| Boiling Point | 94 °C |
| Density | Relative density (water = 1): 0.8 |
| Solubility | Solubility in water: none |
| Flash Point | -6.7 °C (NFPA, 2010) |
| Vapor Pressure | Vapor pressure, kPa at 20 °C: 5.79 |
Chemical Identifiers
| CAS Number | 557-40-4 |
|---|---|
| SMILES | C=CCOCC=C |
| InChIKey | ATVJXMYDOSMEPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl ether (CAS 557-40-4), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 3-prop-2-enoxyprop-1-ene.
Chemical Property Profile of Diallyl ether
Property Insights of Diallyl ether
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Diallyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl 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 Diallyl ether?
The CAS number of Diallyl ether is 557-40-4.
What is the molecular formula of Diallyl ether?
The molecular formula of Diallyl ether is C6H10O.
What is the molecular weight of Diallyl ether?
The molecular weight of Diallyl ether is 98.07 g/mol.
Where can I buy Diallyl ether?
You can request a quote for Diallyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl ether?
Yes, KEHONG BIO provides custom synthesis services for Diallyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.