Tetratriacontyl pentafluoropropionate
PubChem CID: 91693161
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| Compound Synonyms | Tetratriacontyl pentafluoropropionate, 1-Tetratriacontanol, pentafluoropropionate, Tetratriacontyl 2,2,3,3,3-pentafluoropropanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 609.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetratriacontyl 2,2,3,3,3-pentafluoropropanoate |
| Prediction Hob | 0.0 |
| Xlogp | 19.3 |
| Molecular Formula | C37H69F5O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QBFFFTFVCVUCDO-UHFFFAOYSA-N |
| Fcsp3 | 0.972972972972973 |
| Logs | -5.316 |
| Rotatable Bond Count | 35.0 |
| Logd | 4.874 |
| Compound Name | Tetratriacontyl pentafluoropropionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 640.522 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 640.522 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 640.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -13.565371400000004 |
| Inchi | InChI=1S/C37H69F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-44-35(43)36(38,39)37(40,41)42/h2-34H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C(F)(F)F)(F)F |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients