Naphtho[2,3-b]furan-2(3H)-one, decahydro-7-hydroxy-8a-methyl-3,5-dimethylene-
PubChem CID: 457941
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| Compound Synonyms | Ivalin, 7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one, Naphtho[2,3-b]furan-2(3H)-one, decahydro-7-hydroxy-8a-methyl-3,5-dimethylene-, 5938-03-4, 7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVIILQQKQPCQTF-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.79 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.724 |
| Compound Name | Naphtho[2,3-b]furan-2(3H)-one, decahydro-7-hydroxy-8a-methyl-3,5-dimethylene- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6899964 |
| Inchi | InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3 |
| Smiles | CC12CC(CC(=C)C1CC3C(C2)OC(=O)C3=C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Balanophora Indica (Plant) Rel Props:Source_db:cmaup_ingredients