TL;DR: Acetic acid, 2-(dibutylethylsiloxy)-2-(o-methoxyphenyl)-, ethyl ester (CAS 85905-81-3) is a chemical compound with molecular formula C21H36O4Si and molecular weight 380.23828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[dibutyl(ethyl)silyl]oxy-2-(2-methoxyphenyl)acetate
Also Known As: 2-(Dibutylethylsiloxy)-2-(o-methoxyphenyl)acetic acid ethyl ester, Benzeneacetic acid, alpha-((dibutylethylsilyl)oxy)-2-methoxy-, ethyl ester, ACETIC ACID, 2-(DIBUTYLETHYLSILOXY)-2-(o-METHOXYPHENYL)-, ETHYL ESTER, Ethyl {[dibutyl(ethyl)silyl]oxy}(2-methoxyphenyl)acetate, ethyl 2-[dibutyl(ethyl)silyl]oxy-2-(2-methoxyphenyl)acetate
| Molecular Formula | C21H36O4Si |
| Molecular Weight | 380.23828 g/mol |
| XLogP | 5.88 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 380.23828 Da |
| Heavy Atoms | 26 |
| Complexity | 380.0 |
| SMILES | CCCC[Si](CC)(CCCC)OC(C1=CC=CC=C1OC)C(=O)OCC |
| InChIKey | CLBJLFKHTUCHBO-UHFFFAOYSA-N |
The XLogP value of 5.88 indicates that Acetic acid, 2-(dibutylethylsiloxy)-2-(o-methoxyphenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Acetic acid, 2-(dibutylethylsiloxy)-2-(o-methoxyphenyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(dibutylethylsiloxy)-2-(o-methoxyphenyl)-, ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-methoxyphenyl)-, ethyl ester is 85905-81-3.
The molecular formula of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-methoxyphenyl)-, ethyl ester is C21H36O4Si.
The molecular weight of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-methoxyphenyl)-, ethyl ester is 380.23828 g/mol.
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