9-Heptacosene
PubChem CID: 6430701
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| Compound Synonyms | 9-Heptacosene, (E)-heptacos-9-ene, LMFA11000549 |
|---|---|
| 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/CCCCCCCC |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-heptacos-9-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 13.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C27H54 |
| Inchi Key | WWHBGRQNRIORRZ-HTXNQAPBSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 23.0 |
| Synonyms | 9-heptacosene |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C |
| Compound Name | 9-Heptacosene |
| Exact Mass | 378.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.423 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 378.7 |
| 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/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-27H2,1-2H3/b19-17+ |
| Smiles | CCCCCCCCCCCCCCCCC/C=C/CCCCCCCC |
| 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 Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165