Ivalin
(3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.32 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 5938-03-4 |
|---|---|
| SMILES | CC12CC(CC(=C)C1CC3C(C2)OC(=O)C3=C)O |
| InChIKey | OVIILQQKQPCQTF-GGAZOKNXSA-N |
📖 Product Overview
Ivalin (CAS: 5938-03-4) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.32 g/mol. Its IUPAC systematic name is (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one.
OVIILQQKQPCQTF-GGAZOKNXSA-N.
SMILES: CC12CC(CC(=C)C1CC3C(C2)OC(=O)C3=C)O.
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