1-Pentatriacontanol
PubChem CID: 558047
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| Compound Synonyms | 1-Pentatriacontanol, n-pentatriacontanol, 55517-90-3, DTXSID10339717, pentatriacontanol, SCHEMBL3462305, DTXCID10290798, KOZAWTKVXJYUKG-UHFFFAOYSA-N, DB-250471 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentatriacontan-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H72O |
| Inchi Key | KOZAWTKVXJYUKG-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 33.0 |
| Synonyms | pentatriacontanol |
| Esol Class | Insoluble |
| Functional Groups | CO |
| Compound Name | 1-Pentatriacontanol |
| Exact Mass | 508.558 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.558 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 508.9 |
| 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/C35H72O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36/h36H,2-35H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| 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 Strobilanthes Callosa (Plant) Rel Props:Reference:ISBN:9770972795006