4-Tridecanol
PubChem CID: 98972
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Tridecanol, Tridecan-4-ol, 26215-92-9, CHEMBL1922859, tridecanol-10, 4-hydroxytridecane, 4-tridecyl alcohol, EINECS 247-520-6, NSC158507, AI3-35267, SCHEMBL105856, CHEBI:195626, DTXSID601317816, BDBM50358403, AKOS012718118, NSC 158507, NSC-158507, NS00051448 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCCC)))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tridecan-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H28O |
| Inchi Key | VHNLHPIEIIHMHH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 4-tridecanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 4-Tridecanol |
| Exact Mass | 200.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 200.36 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H28O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13-14H,3-12H2,1-2H3 |
| Smiles | CCCCCCCCCC(CCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capillipedium Parviflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.677141