Trimethylolpropane diallyl ether
TL;DR: Trimethylolpropane diallyl ether (CAS 682-09-7) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(prop-2-enoxymethyl)butan-1-ol
Also Known As: Trimethylolpropane diallyl ether, 2,2-Bis(allyloxymethyl)butan-1-ol, 2,2-Bis(allyloxymethyl)-1-butanol, NEOALLYL T 20, starbld0016705
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 682-09-7 |
|---|---|
| SMILES | CCC(CO)(COCC=C)COCC=C |
| InChIKey | BDKDHWOPFRTWPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane diallyl ether (CAS 682-09-7), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 2,2-bis(prop-2-enoxymethyl)butan-1-ol.
Chemical Property Profile of Trimethylolpropane diallyl ether
Property Insights of Trimethylolpropane diallyl ether
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylolpropane diallyl ether. With a topological polar surface area (TPSA) of 38.7 Ų, Trimethylolpropane diallyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylolpropane diallyl ether has 1 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 diallyl ether?
The CAS number of Trimethylolpropane diallyl ether is 682-09-7.
What is the molecular formula of Trimethylolpropane diallyl ether?
The molecular formula of Trimethylolpropane diallyl ether is C12H22O3.
What is the molecular weight of Trimethylolpropane diallyl ether?
The molecular weight of Trimethylolpropane diallyl ether is 214.16 g/mol.
Where can I buy Trimethylolpropane diallyl ether?
You can request a quote for Trimethylolpropane diallyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane diallyl ether?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane diallyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.