1-Octacosene
PubChem CID: 87821
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| Compound Synonyms | 1-Octacosene, octacos-1-ene, 18835-34-2, Octacosene, VYD9Q3XP60, UNII-VYD9Q3XP60, EINECS 242-616-4, EC 242-616-4, DTXSID8066426, LMFA11000324, NS00002344, Q27292099 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octacos-1-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 15.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H56 |
| Inchi Key | QEXZDYLACYKGOM-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 25.0 |
| Synonyms | 1-octacosene, octacosene |
| Esol Class | Insoluble |
| Functional Groups | C=CC |
| Compound Name | 1-Octacosene |
| Exact Mass | 392.438 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.438 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 392.7 |
| 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/C28H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-28H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCC=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 Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165 - 2. Outgoing r'ship
FOUND_INto/from Matricaria Chamomilla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895210 - 3. Outgoing r'ship
FOUND_INto/from Protea Mellifera (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637 - 5. Outgoing r'ship
FOUND_INto/from Salvia Mellifera (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Senegalia Mellifera (Plant) Rel Props:Reference: