Hexadecanoic acid, 11-hydroxy-, ethyl ester
PubChem CID: 11066542
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| Compound Synonyms | Hexadecanoic acid, 11-hydroxy-, ethyl ester, 78432-94-7, DTXSID20454021, ethyl-11-hydroxy hexadecanoate, SCHEMBL5998818, DTXCID80404840, 11-hydroxy palmitic acid ethyl ester |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)OCC)))))))))))))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 11-hydroxyhexadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H36O3 |
| Inchi Key | SLAOYZSISBHPRR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | ethyl-11-hydroxyhexadecanoate |
| Esol Class | Moderately soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | Hexadecanoic acid, 11-hydroxy-, ethyl ester |
| Exact Mass | 300.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 300.5 |
| 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/C18H36O3/c1-3-5-11-14-17(19)15-12-9-7-6-8-10-13-16-18(20)21-4-2/h17,19H,3-16H2,1-2H3 |
| Smiles | CCCCCC(CCCCCCCCCC(=O)OCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Alba (Plant) Rel Props:Reference:ISBN:9788172361150