Octatriacontyl pentafluoropropionate
PubChem CID: 91693082
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| Compound Synonyms | Octatriacontyl pentafluoropropionate, 1-Octatriacontanol, pentafluoropropionate, Octatriacontyl 2,2,3,3,3-pentafluoropropanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 48.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 668.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octatriacontyl 2,2,3,3,3-pentafluoropropanoate |
| Prediction Hob | 0.0 |
| Xlogp | 21.4 |
| Molecular Formula | C41H77F5O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWJGNYMMXDJUCM-UHFFFAOYSA-N |
| Fcsp3 | 0.975609756097561 |
| Logs | -8.44 |
| Rotatable Bond Count | 39.0 |
| Logd | 5.885 |
| Compound Name | Octatriacontyl pentafluoropropionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 696.584 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 696.584 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 697.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -15.016341000000004 |
| Inchi | InChI=1S/C41H77F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-48-39(47)40(42,43)41(44,45)46/h2-38H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=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;npass_chem_all