Levodione
PubChem CID: 10176229
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| Compound Synonyms | Levodione, 60046-49-3, dihydrooxoisophorone, (6R)-Levodione, 2,2,6-Trimethyl-1,4-cyclohexandion, (R)-2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE, (6r)-2,2,6-trimethyl-1,4-cyclohexanedione, (6r)-2,2,6-trimethylcyclohexane-1,4-dione, CHEBI:86400, (-)-(6R)-2,2,6-trimethyl-1,4-cyclohexandione, (r)-2,2,6-trimethylcyclohexane-1,4-dione, [6R]-2,2,6-trimethyl-1,4-cyclohexanedione, Levodione, (6R)-2,2,6-Trimethyl-1,4-cyclohexanedione, (-)-(6R)-2,2,6-Trimethyl-1,4-cyclohexanedione, (6R)-2,2,6-Trimethylcyclohexane-1,4-dione, (R)-2,2,6-Trimethyl-1,4-cyclohexanedione, , DOIP CPD, SCHEMBL774113, HVHHZSFNAYSPSA-ZCFIWIBFSA-N, DTXSID601335381, DB-235234, Q27159134 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-2,2,6-trimethylcyclohexane-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C9H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVHHZSFNAYSPSA-ZCFIWIBFSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -0.67 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.336 |
| Compound Name | Levodione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 154.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3378957999999996 |
| Inchi | InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1 |
| Smiles | C[C@@H]1CC(=O)CC(C1=O)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients