5-Nonadecenylresorcinol
PubChem CID: 53430889
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| Compound Synonyms | 5-nonadecenylresorcinol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 329.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-nonadec-1-enylbenzene-1,3-diol |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 10.8 |
| Is Pains | False |
| Molecular Formula | C25H42O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DELSXHKTDYFIOG-UHFFFAOYSA-N |
| Fcsp3 | 0.68 |
| Rotatable Bond Count | 17.0 |
| Compound Name | 5-Nonadecenylresorcinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.318 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 374.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 374.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.996420244444443 |
| Inchi | InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h18-22,26-27H,2-17H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCC=CC1=CC(=CC(=C1)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients