7-Acetyl-2-hydroxy-2-methyl-5-isopropylbicyclo[4.3.0]nonane
PubChem CID: 539857
Connections displayed (default: 10).
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| Compound Synonyms | MEGxp0_000983, ACon1_001027, WLXJHVQYKOJBBN-UHFFFAOYSA-N, 7-Acetyl-2-hydroxy-2-methyl-5-isopropylbicyclo[4.3.0]nonane, BAA91178, NCGC00169745-01, 1-(4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl)ethanone, 1-(4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl)ethanone # |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WLXJHVQYKOJBBN-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -2.491 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.354 |
| Compound Name | 7-Acetyl-2-hydroxy-2-methyl-5-isopropylbicyclo[4.3.0]nonane |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7987002 |
| Inchi | InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3 |
| Smiles | CC(C)C1CCC(C2C1C(CC2)C(=O)C)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients