TL;DR: Linolenic acid 12-allene oxide (CAS 139562-78-0) is a chemical compound with molecular formula C18H28O3 and molecular weight 292.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z,11Z)-11-[3-[(Z)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid
Also Known As: Linolenic acid 12-allene oxide, (Z,11Z)-11-[3-[(Z)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid, 9-Undecenoic acid, 11-(2-pentenyloxiranylidene)-, (?,Z,Z)- (9CI), (9Z,11Z)-11-{3-[(2Z)-Pent-2-en-1-yl]oxiran-2-ylidene}undec-9-enoic acid, 9-undecenoic acid, 11-[3-[(2Z)-2-pentenyl]-2-oxiranylidene]-, (9Z,11Z)-
| Molecular Formula | C18H28O3 |
| Molecular Weight | 292.20386 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 292.20386 Da |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
| SMILES | CC/C=C\CC1/C(=C/C=C\CCCCCCCC(=O)O)/O1 |
| InChIKey | YZBZORUZOSCZRN-SUJZDKGLSA-N |
The XLogP value of 5.0 indicates that Linolenic acid 12-allene oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Linolenic acid 12-allene oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linolenic acid 12-allene oxide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Linolenic acid 12-allene oxide is 139562-78-0.
The molecular formula of Linolenic acid 12-allene oxide is C18H28O3.
The molecular weight of Linolenic acid 12-allene oxide is 292.20386 g/mol.
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