1,54-Dibromotetrapentacontane
PubChem CID: 545963
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| Compound Synonyms | 1,54-Dibromotetrapentacontane, Tetrapentacontane, 1,54-dibromo-, 852228-22-9, 1,54-dibromo tetrapentacontane, 1,54-Dibromotetrapentacontane #, DTXSID80873254, MYKPFQFCUJYEOQ-UHFFFAOYSA-N |
|---|---|
| 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 | BrCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr |
| Heavy Atom Count | 56.0 |
| Classyfire Class | Organobromides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 580.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,54-dibromotetrapentacontane |
| Veber Rule | False |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 29.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C54H108Br2 |
| Inchi Key | MYKPFQFCUJYEOQ-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 53.0 |
| Synonyms | 1,54-dibromo tetrapentacontane, 1,54-dibromo-tetrapentacontane |
| Esol Class | Insoluble |
| Functional Groups | CBr |
| Compound Name | 1,54-Dibromotetrapentacontane |
| Exact Mass | 916.68 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 914.682 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 917.2 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C54H108Br2/c55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56/h1-54H2 |
| Smiles | C(CCCCCCCCCCCCCCCCCCCCCCCCCCCBr)CCCCCCCCCCCCCCCCCCCCCCCCCCBr |
| 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 Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748