TL;DR: 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)- (CAS 126622-46-6) is a chemical compound with molecular formula C17H28O3 and molecular weight 280.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-dodec-11-enylidene-5-(hydroxymethyl)oxolan-2-one
Also Known As: Majorenolide, 3-dodec-11-enylidene-5-(hydroxymethyl)oxolan-2-one, 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)-, 3-(Dodec-11-en-1-ylidene)-5-(hydroxymethyl)oxolan-2-one
| Molecular Formula | C17H28O3 |
| Molecular Weight | 280.20386 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 280.20386 Da |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
| SMILES | C=CCCCCCCCCCC=C1CC(OC1=O)CO |
| InChIKey | XOPQVUWGWFRPQD-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)- is 126622-46-6.
The molecular formula of 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)- is C17H28O3.
The molecular weight of 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)- is 280.20386 g/mol.
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