TL;DR: 14-(p-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol (CAS 53061-21-5) is a chemical compound with molecular formula C24H42O6 and molecular weight 426.29813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[2-[2-[4-(6-methylheptyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Also Known As: 14-(p-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol, Benzene,1,4-bis[(ethenylsulfonyl)methyl], 14-[4-(6-methylheptyl)phenoxy]-3,6,9,12-tetraoxatetradecan-1-ol, 3,6,9,12-Tetraoxatetradecan-1-ol, 14-(4-isooctylphenoxy)-, 14-(4-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol
| Molecular Formula | C24H42O6 |
| Molecular Weight | 426.29813 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 426.29813 Da |
| Heavy Atoms | 30 |
| Complexity | 345.0 |
| SMILES | CC(C)CCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCO |
| InChIKey | IYOVNRHKIGBOOO-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 14-(p-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-(p-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol. Following Lipinski's Rule of Five, 14-(p-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 14-(p-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol is 53061-21-5.
The molecular formula of 14-(p-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol is C24H42O6.
The molecular weight of 14-(p-Isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol is 426.29813 g/mol.
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