TL;DR: Acetic acid, (diethoxyphosphinyl)-, octyl ester (CAS 147318-10-3) is a chemical compound with molecular formula C14H29O5P and molecular weight 308.17526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl 2-diethoxyphosphorylacetate
Also Known As: Octyl (diethoxyphosphoryl)acetate, Octyl 2-diethoxyphosphorylacetate, Acetic acid, (diethoxyphosphinyl)-, octyl ester
| Molecular Formula | C14H29O5P |
| Molecular Weight | 308.17526 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 308.17526 Da |
| Heavy Atoms | 20 |
| Complexity | 283.0 |
| SMILES | CCCCCCCCOC(=O)CP(=O)(OCC)OCC |
| InChIKey | MXMDTVDDOYHTLF-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Acetic acid, (diethoxyphosphinyl)-, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (diethoxyphosphinyl)-, octyl ester. Following Lipinski's Rule of Five, Acetic acid, (diethoxyphosphinyl)-, octyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, (diethoxyphosphinyl)-, octyl ester is 147318-10-3.
The molecular formula of Acetic acid, (diethoxyphosphinyl)-, octyl ester is C14H29O5P.
The molecular weight of Acetic acid, (diethoxyphosphinyl)-, octyl ester is 308.17526 g/mol.
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