2-Pentanone, 4-cyclohexylidene-3,3-diethyl-
PubChem CID: 606202
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| Compound Synonyms | PPJNNRNUEHDYSI-UHFFFAOYSA-N, 2-Pentanone, 4-cyclohexylidene-3,3-diethyl-, 4-Cyclohexylidene-3,3-diethyl-2-pentanone # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-cyclohexylidene-3,3-diethylpentan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PPJNNRNUEHDYSI-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.676 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.879 |
| Compound Name | 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.707806399999999 |
| Inchi | InChI=1S/C15H26O/c1-5-15(6-2,13(4)16)12(3)14-10-8-7-9-11-14/h5-11H2,1-4H3 |
| Smiles | CCC(CC)(C(=C1CCCCC1)C)C(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients