1-Tetratriacontanol
PubChem CID: 185639
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| Compound Synonyms | 1-tetratriacontanol, Tetratriacontan-1-ol, Geddyl alcohol, 28484-70-0, Sapiol, tetratriacontanol, Tetratriacontyl Alcohol, n-tetratriacontanol, geddic alcohol, UNII-4BV78573LP, 4BV78573LP, CHEBI:77415, DTXSID80182712, cetylstearyl alcohol, Geddyl Alcohol, Sapiol, Tetratriacontyl Alcohol, starbld0023954, SCHEMBL16320, DTXCID20105203, LMFA05000459, AKOS030239939, FT28187, HY-W702834, DB-250492, Geddyl alcohol, Sapiol, Tetratriacontyl alcohol, Q20054552 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 35.0 |
| Classyfire Class | Fatty acyls |
| Description | Isolated from cotton wax. Sapiol is found in fats and oils. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetratriacontan-1-ol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C34H70O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OULAJFUGPPVRBK-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 1.0 |
| Logs | -4.453 |
| Rotatable Bond Count | 32.0 |
| State | Solid |
| Logd | 3.557 |
| Synonyms | 1-Tetratriacontanol, Geddic alcohol, Geddyl alcohol, N-tetratriacontanol, Sapiol, Tetratriacontan-1-ol, Tetratriacontanol, Tetratriacontyl alcohol, N-Tetratriacontanol, 1-tetratriacontanol, sapiol (n-tetratriacontanol), tetratriacontan-1-ol, tetratriacontanol |
| Substituent Name | Fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Insoluble |
| Functional Groups | CO |
| Compound Name | 1-Tetratriacontanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 494.543 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 494.543 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 494.9 |
| 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 |
| Esol | -11.418384600000003 |
| Inchi | InChI=1S/C34H70O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h35H,2-34H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Nring | 8.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
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FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16222775 - 12. Outgoing r'ship
FOUND_INto/from Rhodomyrtus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Saccharum Officinarum (Plant) Rel Props:Reference:ISBN:9788172362140 - 14. Outgoing r'ship
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