Cyclohexanone, 2-isopropenyl-2,5-dimethyl-
PubChem CID: 579671
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| Compound Synonyms | Cyclohexanone, 2-isopropenyl-2,5-dimethyl-, 6711-26-8, Isopulegone, 4-methyl-, 2-Isopropenyl-2,5-dimethyl-1-cyclohexanone, 2,5-dimethyl-2-(prop-1-en-2-yl)cyclohexanone, Cyclohexanone, 2,5-dimethyl-2-(1-methylethenyl)-, SCHEMBL14895194, 2-Isopropenyl-2,5-dimethylcyclohexanone # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C11H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MIZDPYBNDZVDLH-UHFFFAOYSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -2.316 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.415 |
| Compound Name | Cyclohexanone, 2-isopropenyl-2,5-dimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8208368 |
| Inchi | InChI=1S/C11H18O/c1-8(2)11(4)6-5-9(3)7-10(11)12/h9H,1,5-7H2,2-4H3 |
| Smiles | CC1CCC(C(=O)C1)(C)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients