Eicosen-1-ol
PubChem CID: 6365348
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| Compound Synonyms | Eicosen-1-ol, (E)-icos-1-en-1-ol, 28061-39-4, eicosenol, SCHEMBL229935, ACJQRYKUUGFHPV-FMQUCBEESA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCCCCCCCCCC/C=C/O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Eicosen-1-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eicosen-1-ol can be found in garden onion, which makes eicosen-1-ol a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Enols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-icos-1-en-1-ol |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 9.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Enols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40O |
| Inchi Key | ACJQRYKUUGFHPV-FMQUCBEESA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 17.0 |
| Synonyms | eicosen-1-ol |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/O |
| Compound Name | Eicosen-1-ol |
| Kingdom | Organic compounds |
| Exact Mass | 296.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.308 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 296.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h19-21H,2-18H2,1H3/b20-19+ |
| Smiles | CCCCCCCCCCCCCCCCCC/C=C/O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Enols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all