10-Hydroxy-16-hentriacontanone
PubChem CID: 22561416
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 10-hydroxy-16-hentriacontanone, 10-hydroxyhentriacontan-16-one, 87264-34-4, 10-Hydroxypalmitone, SCHEMBL4624203, DTXSID001305930 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols, Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)CCCCCCCCCCCCCCC)))))))))O |
| Heavy Atom Count | 33.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring ingredient. Isolated from leaf wax of the famine food Santalum album (sandalwood). 10-Hydroxy-16-hentriacontanone is found in cereals and cereal products. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-hydroxyhentriacontan-16-one |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C31H62O2 |
| Inchi Key | QFHNVRXMVIWOFO-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 28.0 |
| State | Solid |
| Synonyms | 10-Hydroxypalmitone, 10-hydroxypalmitone, n-hentriacontan-10-ol-16-one(10-hydroxypalmitone) |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | 10-Hydroxy-16-hentriacontanone |
| Kingdom | Organic compounds |
| Exact Mass | 466.475 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 466.475 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 466.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C31H62O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-31(33)29-25-21-24-28-30(32)26-22-19-17-10-8-6-4-2/h30,32H,3-29H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)CCCCCC(CCCCCCCCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Machilus Glaucescens (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Reference:ISBN:9788171360536