Ethyl Myristate
PubChem CID: 31283
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| Compound Synonyms | Ethyl myristate, Ethyl tetradecanoate, 124-06-1, Tetradecanoic acid, ethyl ester, Myristic acid ethyl ester, Myristic acid, ethyl ester, Ethyl N-tetradecanoate, FEMA No. 2445, Ethyl myristate (natural), NSC 8917, EINECS 204-675-4, MFCD00008984, tetradecanoic acid ethyl ester, Ethyl ester tetradecanoic acid, DTXSID6047654, CHEBI:84849, AI3-01024, Ethyl ester of tetradecanoic acid, NSC-8917, UNII-6995S49749, ETHYL MYRISTATE [FCC], Tetradecanoic acid-ethyl ester, ETHYL MYRISTATE [FHFI], DTXCID4027654, WE(2:0/14:0), Myristic acid, ethyl ester (8CI), 6995S49749, MYRISTIC ACID ETHYL ESTER [MI], ETHYLMYRISTATE, SCHEMBL116495, ETHYL MYRISTATE [INCI], Ethyl myristate, 99% (GC), CHEMBL207555, QSPL 039, QSPL 070, QSPL 164, FEMA 2445, NSC8917, HMS3650O07, Ethyl myristate, analytical standard, Tox21_303520, AC8510, LMFA07010468, Ethyl myristate, natural, 98%, FG, AKOS015839783, Ethyl myristate, >=98%, FCC, FG, Ethyl tetradecanoate (ethyl myristate), DS-6368, HY-W099586, NCGC00257436-01, CAS-124-06-1, SY033131, DB-041762, M0479, NS00012436, SR-01000946816, SR-01000946816-1, Q27158117, 204-675-4 |
|---|---|
| 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 | CCCCCCCCCCCCCC=O)OCC |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring agent. Ethyl tetradecanoate is found in many foods, some of which are coriander, ginger, sweet marjoram, and guava. |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75762, Q16236 |
| Iupac Name | ethyl tetradecanoate |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMKRHZKQPFCLLS-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.9375 |
| Logs | -6.415 |
| Rotatable Bond Count | 14.0 |
| State | Liquid |
| Logd | 4.316 |
| Synonyms | Ethyl ester of tetradecanoic acid, Ethyl ester tetradecanoic acid, Ethyl myristate, Ethyl n-tetradecanoate, Ethyl tetradecanoate, Ethyl tetradecanoate (ethyl myristate), FEMA 2445, Myristic acid ethyl ester, Myristic acid, ethyl ester, Myristic acid, ethyl ester (8CI), Tetradecanoic acid, ethyl ester, Ethyl N-tetradecanoate, Ethyl N-tetradecanoic acid, Myristate ethyl ester, Ethyl tetradecanoic acid, Ethyl ester OF tetradecanoic acid, Myristic acid, ethyl ester (8ci), ethyl myristate, ethyl tetradecanoate, ethyl tetradecanoate*, myristic acid ethyl ester |
| Substituent Name | Fatty acid ester, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Ethyl Myristate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.42 |
| 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 |
| Esol | -4.7835659999999995 |
| Inchi | InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCC(=O)OCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty acid esters |
| Np Classifier Superclass | Fatty esters |
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