3-Ethyl-1,5-octadiene
PubChem CID: 5353002
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| Compound Synonyms | 3-Ethyl-1,5-octadiene, (5E)-3-ethylocta-1,5-diene, 3-ethylocta-1,5-diene, (5E)-3-Ethyl-1,5-octadiene, (e)-3-ethyl-1,5-octadiene, 3-Ethyl-1,5-octadiene, isomer, CHEBI:87288, DXYBMKOHVHUXNV-BQYQJAHWSA-N, DXYBMKOHVHUXNV-UHFFFAOYSA-N, (5E)-3-Ethyl-1,5-octadiene #, AKOS006272933 |
|---|---|
| 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 | Fatty alcohols, Hydrocarbons |
| Deep Smiles | CC/C=C/CCC=C))CC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E)-3-ethylocta-1,5-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Inchi Key | DXYBMKOHVHUXNV-BQYQJAHWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3-ethyl-1,5-octadiene |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, C=CC |
| Compound Name | 3-Ethyl-1,5-octadiene |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5,7-8,10H,2,4,6,9H2,1,3H3/b8-7+ |
| Smiles | CC/C=C/CC(CC)C=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.961039