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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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