1-Tetracontanol
PubChem CID: 10438171
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| Compound Synonyms | 1-Tetracontanol, Tetracontan-1-ol, 164350-12-3, UNII-2E8PJ1V04W, 2E8PJ1V04W, DTXSID40167747, tetracontanol, SCHEMBL868659, DTXCID7090238, Q27254617 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 41.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracontan-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 20.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H82O |
| Inchi Key | UZSAQAWEIQNGJT-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 38.0 |
| Synonyms | tetracontanol |
| Esol Class | Insoluble |
| Functional Groups | CO |
| Compound Name | 1-Tetracontanol |
| Exact Mass | 578.637 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 578.637 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 579.1 |
| 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 |
| Inchi | InChI=1S/C40H82O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41/h41H,2-40H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| 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 Senna Siamea (Plant) Rel Props:Reference:ISBN:9788185042145