Hexacosyl pentafluoropropionate
PubChem CID: 91692952
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| Compound Synonyms | Hexacosyl pentafluoropropionate, 1-Hexacosanol, pentafluoropropionate, Hexacosyl 2,2,3,3,3-pentafluoropropanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexacosyl 2,2,3,3,3-pentafluoropropanoate |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 14.9 |
| Is Pains | False |
| Molecular Formula | C29H53F5O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PAKFICMSOWIPAA-UHFFFAOYSA-N |
| Fcsp3 | 0.9655172413793104 |
| Rotatable Bond Count | 27.0 |
| Compound Name | Hexacosyl pentafluoropropionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 528.397 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 528.397 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 528.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.6697322 |
| Inchi | InChI=1S/C29H53F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36-27(35)28(30,31)29(32,33)34/h2-26H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C(F)(F)F)(F)F |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients