5-Octadecene
PubChem CID: 5364598
Connections displayed (default: 10).
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| Compound Synonyms | 5-Octadecene, (E)-5-Octadecene, 5-Octadecene, (E)-, (5E)-5-Octadecene, 7206-21-5, (E)-5-Octadec-5-ene, 18899-24-6, (E)-octadec-5-ene, trans-5-Octadecene, 5-OCTADECENE,(E)-, DTXSID70880871, YIYQJOMDMPTKEL-PKNBQFBNSA-N, DA-60472, HY-24574, CS-0373964, NS00095943 |
|---|---|
| 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 | CCCCCCCCCCCC/C=C/CCCC |
| 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 | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-octadec-5-ene |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 9.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H36 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YIYQJOMDMPTKEL-PKNBQFBNSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.8888888888888888 |
| Logs | -6.967 |
| Rotatable Bond Count | 14.0 |
| Logd | 5.103 |
| Synonyms | 5-octadecene |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C |
| Compound Name | 5-Octadecene |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Esol | -6.170313199999998 |
| Inchi | InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-18H2,1-2H3/b11-9+ |
| Smiles | CCCCCCCCCCCC/C=C/CCCC |
| Nring | 0.0 |
| 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 Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Polianthes Tuberosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1259590