Tritetracontane
PubChem CID: 522398
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| Compound Synonyms | Tritetracontane, 7098-21-7, DTXSID90334942, DTXCID70286031, 62479D2D-191F-4EBB-85E5-9BFEAB9BB03C, Q18456290 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 43.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tritetracontane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 22.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C43H88 |
| Inchi Key | PKBVGJFKBPLWOD-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 40.0 |
| Synonyms | tritetracontane |
| Esol Class | Insoluble |
| Compound Name | Tritetracontane |
| Exact Mass | 604.689 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 604.689 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 605.2 |
| 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/C43H88/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| 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 Prunus Persica (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 3. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748