TL;DR: Octadecyl octadeca-9,12,15-trienoate (CAS 17673-60-8) is a chemical compound with molecular formula C36H66O2 and molecular weight 530.5063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octadecyl octadeca-9,12,15-trienoate
Also Known As: Octadecyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate, 9,12,15-Octadecatrienoicacid, octadecyl ester, (9Z,12Z,15Z)-
| Molecular Formula | C36H66O2 |
| Molecular Weight | 530.5063 g/mol |
| XLogP | 15.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 31 |
| Exact Mass | 530.5063 Da |
| Heavy Atoms | 38 |
| Complexity | 546.0 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCC=CCC |
| InChIKey | QQRQYDIHHZSQOG-UHFFFAOYSA-N |
The XLogP value of 15.1 indicates that Octadecyl octadeca-9,12,15-trienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadecyl octadeca-9,12,15-trienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl octadeca-9,12,15-trienoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Octadecyl octadeca-9,12,15-trienoate is 17673-60-8.
The molecular formula of Octadecyl octadeca-9,12,15-trienoate is C36H66O2.
The molecular weight of Octadecyl octadeca-9,12,15-trienoate is 530.5063 g/mol.
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