Dodecyl propionate
PubChem CID: 80354
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| Compound Synonyms | dodecyl propanoate, Dodecyl propionate, 6221-93-8, Lauryl propionate, Propanoic acid, dodecyl ester, n-Dodecyl propanoate, Propionic acid, dodecyl ester, Propionic acid, laurinyl ester, UNII-7G537BMD9L, 7G537BMD9L, EINECS 228-299-5, NSC 57275, NSC-57275, DTXSID3064142, FEMA NO. 4338, DODECYL PROPIONATE [FHFI], Propionic acid, dodecyl ester (8CI), Dodecylpropionate, MFCD16877157, SCHEMBL840188, DTXCID8043280, CHEBI:172094, GAA22193, NSC57275, LMFA07010843, AKOS028108518, AS-44345, NS00022526, A10989, Q27268231, 228-299-5 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCCOC=O)CC |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Description | It is used as a food additive . |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecyl propanoate |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohol esters |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H30O2 |
| Inchi Key | FVGJPCFYGPKBKJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | Lauryl propionate, N-dodecyl propanoate, Propanoic acid, dodecyl ester, Propionic acid, dodecyl ester, Propionic acid, dodecyl ester (8CI), Propionic acid, laurinyl ester, Dodecyl propionic acid, N-Dodecyl propanoate, Propionic acid, dodecyl ester (8ci), dodecyl propionate |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Dodecyl propionate |
| Kingdom | Organic compounds |
| Exact Mass | 242.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3 |
| Smiles | CCCCCCCCCCCCOC(=O)CC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohol esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Esculentus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701211