Trimethylolpropane monoallyl ether
TL;DR: Trimethylolpropane monoallyl ether (CAS 682-11-1) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol
Also Known As: Trimethylolpropane monoallyl ether, Trimethylolpropane allyl ether, 2-Allyloxymethyl-2-ethylpropanediol, TRIMETHYLOLPROPANEMONOALLYLETHER, 1,1,1-Trimethylolpropane monoallyl ether
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 682-11-1 |
|---|---|
| SMILES | CCC(CO)(CO)COCC=C |
| InChIKey | LZDXRPVSAKWYDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane monoallyl ether (CAS 682-11-1), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol.
Chemical Property Profile of Trimethylolpropane monoallyl ether
Property Insights of Trimethylolpropane monoallyl ether
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylolpropane monoallyl ether. With a topological polar surface area (TPSA) of 49.7 Ų, Trimethylolpropane monoallyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylolpropane monoallyl ether has 2 hydrogen bond donor(s) and 3 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 Trimethylolpropane monoallyl ether?
The CAS number of Trimethylolpropane monoallyl ether is 682-11-1.
What is the molecular formula of Trimethylolpropane monoallyl ether?
The molecular formula of Trimethylolpropane monoallyl ether is C9H18O3.
What is the molecular weight of Trimethylolpropane monoallyl ether?
The molecular weight of Trimethylolpropane monoallyl ether is 174.13 g/mol.
Where can I buy Trimethylolpropane monoallyl ether?
You can request a quote for Trimethylolpropane monoallyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane monoallyl ether?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane monoallyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.