TL;DR: [3-Octadec-9-enoyloxy-2,2-bis(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate (CAS 19321-40-5) is a chemical compound with molecular formula C77H140O8 and molecular weight 1193.0548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-octadec-9-enoyloxy-2,2-bis(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate
Also Known As: Pentaerythritol tetraoleate, Pentaerythrityl tetraoleate, [3-[(Z)-octadec-9-enoyl]oxy-2,2-bis[[(Z)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate
| Molecular Formula | C77H140O8 |
| Molecular Weight | 1193.0548 g/mol |
| XLogP | 29.8 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 72 |
| Exact Mass | 1193.0548 Da |
| Heavy Atoms | 85 |
| Complexity | 1330.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | QTIMEBJTEBWHOB-UHFFFAOYSA-N |
The XLogP value of 29.8 indicates that [3-Octadec-9-enoyloxy-2,2-bis(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-Octadec-9-enoyloxy-2,2-bis(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate. Following Lipinski's Rule of Five, [3-Octadec-9-enoyloxy-2,2-bis(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [3-Octadec-9-enoyloxy-2,2-bis(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate is 19321-40-5.
The molecular formula of [3-Octadec-9-enoyloxy-2,2-bis(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate is C77H140O8.
The molecular weight of [3-Octadec-9-enoyloxy-2,2-bis(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate is 1193.0548 g/mol.
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