1-Pentatriacontene
PubChem CID: 13829222
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| Compound Synonyms | 1-Pentatriacontene, UNII-J4OTB56YZN, J4OTB56YZN, 61868-13-1, Pentatriacontene, DTXSID00210844, Q27281200 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 35.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentatriacont-1-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 19.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H70 |
| Inchi Key | NOCIDIARFGFRSA-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 32.0 |
| Synonyms | pentatriacontene |
| Esol Class | Insoluble |
| Functional Groups | C=CC |
| Compound Name | 1-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 | 0.0 |
| 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/h3H,1,4-35H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Inula Grantioides (Plant) Rel Props:Reference:ISBN:9788185042145