Tetracontane
PubChem CID: 20149
Connections displayed (default: 10).
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| Compound Synonyms | n-Tetracontane, TETRACONTANE, 4181-95-7, UNII-I79S9IXB9Y, I79S9IXB9Y, EINECS 224-055-7, AI3-36490, DTXSID2063341, nTetracontane, MFCD00015267, Tetracontane, n-Tetracontane, DTXCID4039990, Tetracontane, analytical standard, Tetracontane, >=95.0% (GC), HY-W540509, LS-15432, NS00049183, T72448, Q151239, C4F1723F-8A7B-4248-A951-73F06DE9834E, 224-055-7 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracontane |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 21.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H82 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUPLEGDPSCCPJI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 1.0 |
| Logs | -8.718 |
| Rotatable Bond Count | 37.0 |
| Logd | 5.744 |
| Synonyms | n-tetracontane, tetracontane |
| Esol Class | Insoluble |
| Compound Name | Tetracontane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 562.642 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 562.642 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 563.1 |
| 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 |
| Esol | -14.295595200000005 |
| Inchi | InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Nring | 0.0 |
| 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 Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.998720 - 3. Outgoing r'ship
FOUND_INto/from Convolvulus Microphyllus (Plant) Rel Props:Reference:ISBN:9788185042138 - 4. Outgoing r'ship
FOUND_INto/from Convolvulus Prostratus (Plant) Rel Props:Reference:ISBN:9770972795006 - 5. Outgoing r'ship
FOUND_INto/from Hibiscus Cannabinus (Plant) Rel Props:Reference:ISBN:9788185042084 - 6. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1260061 - 7. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Reference:ISBN:9770972795006 - 9. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all