Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester
TL;DR: Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester (CAS 70682-61-0) is a chemical compound with molecular formula C25H48O6Si and molecular weight 472.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[bis(2-ethylhexanoyloxy)-methylsilyl] 2-ethylhexanoate
Also Known As: methylsilylidynetris, Methylsilylidyne tris(2-ethylhexanoate), methylsilanetriyl tris(2-ethylhexanoate), Hexanoic acid, 2-ethyl-, methylsilylidyne ester, Tris(2-ethylhexanoic acid)methylsilylidyne ester
| Molecular Formula | C25H48O6Si |
|---|---|
| Molecular Weight | 472.32 g/mol |
| LogP | 6.83 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 472.32202 |
| Heavy Atoms | 32 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 70682-61-0 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O[Si](C)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC |
| InChIKey | JOPQOJFZJSAFHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester (CAS 70682-61-0), with molecular formula C25H48O6Si and molecular weight 472.32 g/mol. IUPAC: [bis(2-ethylhexanoyloxy)-methylsilyl] 2-ethylhexanoate.
Chemical Property Profile of Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester
Property Insights of Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester
The XLogP value of 6.83 indicates that Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester. Following Lipinski's Rule of Five, Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester?
The CAS number of Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester is 70682-61-0.
What is the molecular formula of Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester?
The molecular formula of Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester is C25H48O6Si.
What is the molecular weight of Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester?
The molecular weight of Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester is 472.32 g/mol.
Where can I buy Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester?
You can request a quote for Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.