1-Eicosyne
PubChem CID: 13001
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| Compound Synonyms | 1-EICOSYNE, 765-27-5, icos-1-yne, MLS-0091932.0001, 1-Icosyne, cosyn, eicos-1-yne, 1-Icosyne #, cid_13001, CHEMBL1329983, BDBM46142, DTXSID70227303, BUSHLWVWPAEVMX-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCC#C |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icos-1-yne |
| Veber Rule | False |
| Classyfire Superclass | Acetylides |
| Xlogp | 10.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H38 |
| Inchi Key | BUSHLWVWPAEVMX-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 1-eicosyne, eicosyne, 1- |
| Esol Class | Poorly soluble |
| Functional Groups | C#CC |
| Compound Name | 1-Eicosyne |
| Exact Mass | 278.297 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.297 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 278.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCC#C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Banksiae (Plant) Rel Props:Reference:ISBN:9788185042114