Docosanal
PubChem CID: 3017068
Connections displayed (default: 10).
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| Compound Synonyms | Docosanal, 57402-36-5, n-docosanal, Docosyl aldehyde, 1-docosanal, DTXSID80205995, MFCD07780595, behenoyl, Docosanal, Behenyl Aldehyde, Docosyl Aldehyde, 1-Docosanal, , behenyl aldehyde, A5NJ9XW9A6, SCHEMBL177433, DTXCID10128486, BBL101836, STL555633, AKOS005259713, SB85339, MS-20296, G78804, Q67879852 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCC=O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | docosanal |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H44O |
| Inchi Key | ULCXRAFXRZTNRO-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 20.0 |
| Synonyms | docosanal |
| Esol Class | Poorly soluble |
| Functional Groups | CC=O |
| Compound Name | Docosanal |
| Exact Mass | 324.339 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.339 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 324.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h22H,2-21H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC=O |
| 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 Bergenia Purpurascens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 2. Outgoing r'ship
FOUND_INto/from Bergenia Stracheyi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 3. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165 - 4. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637 - 5. Outgoing r'ship
FOUND_INto/from Taxus Baccata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700371