Tetratriacontyl heptafluorobutyrate
PubChem CID: 91692919
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| Compound Synonyms | Tetratriacontyl heptafluorobutyrate, Tetratriacontyl perfluorobutyrate, 1-Tetratriacontanol, heptafluorobutyrate, Tetratriacontyl 2,2,3,3,4,4,4-heptafluorobutanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 47.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 698.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetratriacontyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Prediction Hob | 0.0 |
| Xlogp | 20.1 |
| Molecular Formula | C38H69F7O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGGUHEYSIUTPKS-UHFFFAOYSA-N |
| Fcsp3 | 0.9736842105263158 |
| Logs | -8.143 |
| Rotatable Bond Count | 36.0 |
| Logd | 5.933 |
| Compound Name | Tetratriacontyl heptafluorobutyrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 690.519 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 690.519 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 690.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -14.326014800000003 |
| Inchi | InChI=1S/C38H69F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-47-35(46)36(39,40)37(41,42)38(43,44)45/h2-34H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=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