TL;DR: 3-(Dimethoxyphosphinyloxy)-2-butenoic acid decyl ester (CAS 64011-82-1) is a chemical compound with molecular formula C16H31O6P and molecular weight 350.18582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
decyl 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: 3-(Dimethoxyphosphinyloxy)-2-butenoic acid decyl ester
| Molecular Formula | C16H31O6P |
| Molecular Weight | 350.18582 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 350.18582 Da |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
| SMILES | CCCCCCCCCCOC(=O)C=C(C)OP(=O)(OC)OC |
| InChIKey | NBJUTTIGVVSBAG-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 3-(Dimethoxyphosphinyloxy)-2-butenoic acid decyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid decyl ester. Following Lipinski's Rule of Five, 3-(Dimethoxyphosphinyloxy)-2-butenoic acid decyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid decyl ester is 64011-82-1.
The molecular formula of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid decyl ester is C16H31O6P.
The molecular weight of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid decyl ester is 350.18582 g/mol.
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