(E)-2-Octadecene
PubChem CID: 5352248
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| Compound Synonyms | (E)-2-Octadecene, (E)-octadec-2-ene, trans-2-Octadecene, (2E)-2-Octadecene, 2-Octadecene, (2E)-, octadec-2-ene, 2-octadecene (E), KG8J99D61T, 7206-18-0, UNII-KG8J99D61T, 2-Octadecene, CHEBI:50574, Q27122123 |
|---|---|
| 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 | CCCCCCCCCCCCCCC/C=C/C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-octadec-2-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 9.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H36 |
| Inchi Key | KUQIWULJSBTNPX-HWKANZROSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | (e)-2-octadecene |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C |
| Compound Name | (E)-2-Octadecene |
| Exact Mass | 252.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.282 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 252.5 |
| 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/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5H,4,6-18H2,1-2H3/b5-3+ |
| Smiles | CCCCCCCCCCCCCCC/C=C/C |
| 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 Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020