Tetratetracontane
PubChem CID: 23494
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| Compound Synonyms | TETRATETRACONTANE, n-Tetratetracontane, 7098-22-8, FPX2NM4VIT, UNII-FPX2NM4VIT, EINECS 230-407-0, NSC 102262, NSC-102262, AI3-36493, DTXSID5058640, CHEBI:84289, Tetratetracontane, analytical standard, nTetratetracontane, MFCD00015268, Tetratetracontane, 99%, DTXCID9032327, NSC102262, AKOS015902653, HY-W540905, AS-81740, Tetratetracontane, purum, >=95.0% (GC), NS00043167, T72862, Tetratetracontane, NSC 102262, n-Tetratetracontane, Q20890372, 1208B570-4CB6-48FD-9F3F-67129C995357, Tetratetracontane (C44) 1000 microg/mL in Carbon Disulfide, 230-407-0 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 44.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetratetracontane |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 23.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C44H90 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMXFZRSJMDYPPG-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 1.0 |
| Logs | -8.968 |
| Rotatable Bond Count | 41.0 |
| Logd | 5.931 |
| Synonyms | n-tetratetracontane, tetratetracontane |
| Esol Class | Insoluble |
| Compound Name | Tetratetracontane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 618.704 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 618.704 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 619.2 |
| 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 |
| Esol | -15.746564800000002 |
| Inchi | InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| 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 Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014 - 2. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Centaurea Iberica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886164 - 4. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943 - 5. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965 - 6. Outgoing r'ship
FOUND_INto/from Leea Indica (Plant) Rel Props:Reference:ISBN:9770972795006 - 7. Outgoing r'ship
FOUND_INto/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1188735 - 8. Outgoing r'ship
FOUND_INto/from Polygonatum Odoratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 11. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 12. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Thalictrum Ichangense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all