7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
7-[(1R,2S,3S,5R)-3-[(3R)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Also Known As: 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid|7-{(1R,2S,3S,5R)-3-[(3R)-3-Hydroxyoct-1-en-1-yl]-6-thiabicyclo[3.1.1]heptan-2-yl}hept-5-enoic acid
| Molecular Formula | C21H34O3S |
|---|---|
| Molecular Weight | 366.22287 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 366.22287 |
| Heavy Atoms | 25 |
| Complexity | 454.1 |
Chemical Identifiers
| CAS Number | 80408-46-4 |
|---|---|
| SMILES | CCCCC[C@H](C=C[C@@H]1C[C@@H]2C[C@H]([C@H]1CC=CCCCC(=O)O)S2)O |
Product Overview
7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid (CAS 80408-46-4), with molecular formula C21H34O3S and molecular weight 366.22287 g/mol. IUPAC: 7-[(1R,2S,3S,5R)-3-[(3R)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid.
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