17-Pentatriacontene
PubChem CID: 5365022
Connections displayed (default: 10).
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| Compound Synonyms | 17-Pentatriacontene, 6971-40-0, DTXSID00881250, NSC 66519, (17E)-17-Pentatriacontene, (17E)-17-Pentatriacontene #, DTXCID80909502, AKOS024430359, NS00096074 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCCC |
| Heavy Atom Count | 35.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-pentatriacont-17-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 18.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H70 |
| Inchi Key | BLCUZCCTSBVFSV-LAPDZXRHSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 31.0 |
| Synonyms | 17-pentatriacontene |
| Esol Class | Insoluble |
| Functional Groups | C/C=C/C |
| Compound Name | 17-Pentatriacontene |
| Exact Mass | 490.548 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.548 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 490.9 |
| 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/C35H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,35H,3-32,34H2,1-2H3/b35-33+ |
| Smiles | CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCCC |
| 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 Centaurea Iberica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886164 - 2. Outgoing r'ship
FOUND_INto/from Cordia Sebestena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884758 - 3. Outgoing r'ship
FOUND_INto/from Leea Indica (Plant) Rel Props:Reference:ISBN:9770972795006 - 4. Outgoing r'ship
FOUND_INto/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1278183