Propyl myristate
PubChem CID: 84338
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| Compound Synonyms | Propyl tetradecanoate, Propyl myristate, 14303-70-9, Tetradecanoic acid,propyl ester, myristic acid propyl ester, Tetradecanoic acid, propyl ester, tetradecanoic acid propyl ester, EINECS 238-241-0, AI3-31609, DTXSID20162295, Myristic acid, propyl ester, Propyltetradecanoate, Propyl myristate #, SCHEMBL318122, CHEMBL207607, DTXCID9084786, 82G34J5T3H, AKOS024257904, AS-60445, NS00024650, A11004, 238-241-0 |
|---|---|
| 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 | CCCCCCCCCCCCCC=O)OCCC |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propyl tetradecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H34O2 |
| Inchi Key | DPBVJRXPSXTHOL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | propyl tetradecanoate |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Propyl myristate |
| Exact Mass | 270.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.5 |
| Gi Absorption | True |
| 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/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h3-16H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCC(=O)OCCC |
| 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 Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1812