Tricosyl pentafluoropropionate
PubChem CID: 91692903
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Tricosyl pentafluoropropionate, WJBCEVFPSUTMSD-UHFFFAOYSA-N, 1-Tricosanol, pentafluoropropionate, Tricosyl 2,2,3,3,3-pentafluoropropanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricosyl 2,2,3,3,3-pentafluoropropanoate |
| Prediction Hob | 0.0 |
| Xlogp | 13.3 |
| Molecular Formula | C26H47F5O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WJBCEVFPSUTMSD-UHFFFAOYSA-N |
| Fcsp3 | 0.9615384615384616 |
| Logs | -7.454 |
| Rotatable Bond Count | 24.0 |
| Logd | 5.163 |
| Compound Name | Tricosyl pentafluoropropionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 486.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 486.35 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 486.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.579930000000001 |
| Inchi | InChI=1S/C26H47F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-24(32)25(27,28)26(29,30)31/h2-23H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C(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