Encelin
(3aR,4aR,8aS,9aR)-8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.28 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 15569-50-3 |
|---|---|
| SMILES | CC12CC3C(CC1C(=C)C(=O)C=C2)C(=C)C(=O)O3 |
| InChIKey | LXMUZMFQJGRVFW-NDPMZMCLSA-N |
📖 Product Overview
Encelin (CAS: 15569-50-3) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.28 g/mol. Its IUPAC systematic name is (3aR,4aR,8aS,9aR)-8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione.
LXMUZMFQJGRVFW-NDPMZMCLSA-N.
SMILES: CC12CC3C(CC1C(=C)C(=O)C=C2)C(=C)C(=O)O3.
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