TL;DR: 2-[4,6-Diethyl-6-(4-ethyloct-5-enyl)dioxan-3-yl]acetic acid (CAS 152821-46-0) is a chemical compound with molecular formula C20H36O4 and molecular weight 340.26135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4,6-diethyl-6-(4-ethyloct-5-enyl)dioxan-3-yl]acetic acid
Also Known As: DEODA, 1,2-Dioxane-3-aceticacid, 6-[4-(1-buten-1-yl)-5-methylpentyl]-4,6-diethyl-, 4,6-Diethyl-6-(4-ethyl-5-octenyl)-1,2-dioxane-3-acetic acid
| Molecular Formula | C20H36O4 |
| Molecular Weight | 340.26135 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 340.26135 Da |
| Heavy Atoms | 24 |
| Complexity | 393.0 |
| SMILES | CCC=CC(CC)CCCC1(CC(C(OO1)CC(=O)O)CC)CC |
| InChIKey | KCBAKIPOBYUWOG-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 2-[4,6-Diethyl-6-(4-ethyloct-5-enyl)dioxan-3-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2-[4,6-Diethyl-6-(4-ethyloct-5-enyl)dioxan-3-yl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4,6-Diethyl-6-(4-ethyloct-5-enyl)dioxan-3-yl]acetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[4,6-Diethyl-6-(4-ethyloct-5-enyl)dioxan-3-yl]acetic acid is 152821-46-0.
The molecular formula of 2-[4,6-Diethyl-6-(4-ethyloct-5-enyl)dioxan-3-yl]acetic acid is C20H36O4.
The molecular weight of 2-[4,6-Diethyl-6-(4-ethyloct-5-enyl)dioxan-3-yl]acetic acid is 340.26135 g/mol.
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