Hexadecanoic acid nonyl ester
PubChem CID: 10249353
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | nonyl palmitate, Nonyl Hexadecanoate, 42232-26-8, HEXADECANOIC ACID NONYL ESTER, SCHEMBL333285, CHEBI:84062, DTXSID30437345, SDPZWRKQPQDSQW-UHFFFAOYSA-N, Q27157440 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)OCCCCCCCCC |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonyl hexadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H50O2 |
| Inchi Key | SDPZWRKQPQDSQW-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 23.0 |
| Synonyms | nonyl hexadecanoate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Hexadecanoic acid nonyl ester |
| Exact Mass | 382.381 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.381 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 382.7 |
| 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/C25H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25(26)27-24-22-20-18-10-8-6-4-2/h3-24H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Colocynthis (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042145