3-Methyl-heptadecan-2-one
PubChem CID: 15376167
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-methyl-heptadecan-2-one, SCHEMBL729906, KFXVYBZAINWPRZ-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylheptadecan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 7.8 |
| Molecular Formula | C18H36O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFXVYBZAINWPRZ-UHFFFAOYSA-N |
| Fcsp3 | 0.9444444444444444 |
| Logs | -6.649 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.616 |
| Compound Name | 3-Methyl-heptadecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.277 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 268.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.526106999999999 |
| Inchi | InChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3)19/h17H,4-16H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCC(C)C(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients