(-)-alpha-Nonadecylcyclohexanebutanol
PubChem CID: 129687293
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| Compound Synonyms | 151454-21-6, 1-cyclohexyl-4-tricosanol, (-)-1-Cyclohexyl-4-tricosanol, DTXSID501299944, (-)-alpha-Nonadecylcyclohexanebutanol, (-)-I+/--Nonadecylcyclohexanebutanol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC6)))))))))O |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of Papaver somniferum (opium poppy) |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-cyclohexyltricosan-4-ol |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H58O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | NOUDABILYBTVKT-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| State | Solid |
| Synonyms | (-)-1-cyclohexyl-4-tricosanol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | (-)-alpha-Nonadecylcyclohexanebutanol |
| Kingdom | Organic compounds |
| Exact Mass | 422.449 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.449 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 422.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C29H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-29(30)27-22-25-28-23-19-18-20-24-28/h28-30H,2-27H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(CCCC1CCCCC1)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729