3-Eicosene, (E)-
PubChem CID: 5365051
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| Compound Synonyms | 3-Eicosene, (E)-, (E)-icos-3-ene, (3E)-3-Icosene, 74685-33-9, 3-eicosene, 3-Eicosene,(E)-, (3E)-3-Icosene #, DTXSID90880873, AKTLQTMAOYZJGI-FNORWQNLSA-N, CHEBI:151023, NS00096068 |
|---|---|
| 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 | CCCCCCCCCCCCCCCC/C=C/CC |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-icos-3-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 10.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40 |
| Inchi Key | AKTLQTMAOYZJGI-FNORWQNLSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | (e)-3- eicosene, (e)-3-eicosene, 3-eicosene |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C |
| Compound Name | 3-Eicosene, (E)- |
| Exact Mass | 280.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 280.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-20H2,1-2H3/b7-5+ |
| Smiles | CCCCCCCCCCCCCCCC/C=C/CC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700693