Dotriacontyl perfluorobutyrate
PubChem CID: 91692956
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| Compound Synonyms | Dotriacontyl perfluorobutyrate, dotriacontylheptafluorobutyrate, Dotriacontyl heptafluorobutyrate, HDYLMIWYXVQKDS-UHFFFAOYSA-N, 1-Dotriacontanol, heptafluorobutyrate, Dotriacontyl 2,2,3,3,4,4,4-heptafluorobutanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 45.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 668.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dotriacontyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Prediction Hob | 0.0 |
| Xlogp | 19.0 |
| Molecular Formula | C36H65F7O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDYLMIWYXVQKDS-UHFFFAOYSA-N |
| Fcsp3 | 0.9722222222222222 |
| Logs | -3.85 |
| Rotatable Bond Count | 34.0 |
| Logd | 2.355 |
| Compound Name | Dotriacontyl perfluorobutyrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 662.487 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 662.487 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 662.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -13.603680000000004 |
| Inchi | InChI=1S/C36H65F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-45-33(44)34(37,38)35(39,40)36(41,42)43/h2-32H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients