3,3,4,5-Tetramethylcyclohexan-1-one
PubChem CID: 89211994
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| Compound Synonyms | SCHEMBL13966491, RIAQBNSPOHNARJ-UHFFFAOYSA-N, 3,3,4,5-tetramethylcyclohexan-1-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3,4,5-tetramethylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIAQBNSPOHNARJ-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -2.671 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.477 |
| Compound Name | 3,3,4,5-Tetramethylcyclohexan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3461686 |
| Inchi | InChI=1S/C10H18O/c1-7-5-9(11)6-10(3,4)8(7)2/h7-8H,5-6H2,1-4H3 |
| Smiles | CC1CC(=O)CC(C1C)(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