Cyclopentanone, 2-(5-oxohexyl)-
PubChem CID: 558468
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| Compound Synonyms | 2-(5-Oxohexyl)cyclopentanone #, AHBATPPGCLRMTJ-UHFFFAOYSA-N, Cyclopentanone, 2-(5-oxohexyl)- |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-oxohexyl)cyclopentan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C11H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AHBATPPGCLRMTJ-UHFFFAOYSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -1.061 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.126 |
| Compound Name | Cyclopentanone, 2-(5-oxohexyl)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 182.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 182.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4842305999999996 |
| Inchi | InChI=1S/C11H18O2/c1-9(12)5-2-3-6-10-7-4-8-11(10)13/h10H,2-8H2,1H3 |
| Smiles | CC(=O)CCCCC1CCCC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients