Tetracosyl heptafluorobutyrate
PubChem CID: 91692905
Connections displayed (default: 10).
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| Compound Synonyms | Tetracosyl heptafluorobutyrate, Tetracosyl perfluorobutyrate, 1-Tetracosanol, heptafluorobutyrate, Tetracosyl 2,2,3,3,4,4,4-heptafluorobutanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracosyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Prediction Hob | 0.0 |
| Xlogp | 14.7 |
| Molecular Formula | C28H49F7O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCOUVFHNEXWUAW-UHFFFAOYSA-N |
| Fcsp3 | 0.9642857142857144 |
| Logs | -7.492 |
| Rotatable Bond Count | 26.0 |
| Logd | 5.402 |
| Compound Name | Tetracosyl heptafluorobutyrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 550.362 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 550.362 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 550.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.708040800000001 |
| Inchi | InChI=1S/C28H49F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-37-25(36)26(29,30)27(31,32)28(33,34)35/h2-24H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients