1-Hexacosene
PubChem CID: 29303
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| Compound Synonyms | 1-Hexacosene, hexacos-1-ene, 18835-33-1, HEXACOSENE, UNII-MSG4U9AQ89, MSG4U9AQ89, EINECS 242-615-9, AI3-10513, DTXSID80873052, EC 242-615-9, 64808-91-9, 1-?Hexacosene(>85%), 1-?Hexacosene, DTXCID409835, CHEBI:184289, DTXSID501015015, TAA83533, LMFA11000320, NS00005393, F87219, Q27284213 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Description | Constituent of Aralia elata (Japanese angelica tree). 1-Hexacosene is found in green vegetables. |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexacos-1-ene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 14.4 |
| Superclass | Hydrocarbons |
| Subclass | Unsaturated aliphatic hydrocarbons |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H52 |
| Inchi Key | OMXANELYEWRDAW-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 23.0 |
| Synonyms | Hexacosene, Hexacos-1-ene, 1-hexacosene, hexacosene |
| Esol Class | Poorly soluble |
| Functional Groups | C=CC |
| Compound Name | 1-Hexacosene |
| Kingdom | Organic compounds |
| Exact Mass | 364.407 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.407 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 364.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Unsaturated aliphatic hydrocarbons |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Bergenia Purpurascens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 2. Outgoing r'ship
FOUND_INto/from Bergenia Stracheyi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 3. Outgoing r'ship
FOUND_INto/from Elaeagnus Rhamnoides (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 4. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165 - 5. Outgoing r'ship
FOUND_INto/from Matricaria Chamomilla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895210