Ethyl 2-decenoate, (2E)-
PubChem CID: 5463904
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| Compound Synonyms | Ethyl trans-2-decenoate, 7367-88-6, ethyl (E)-dec-2-enoate, Ethyl 2-decenoate, 2-Decenoic acid, ethyl ester, (2E)-, Ethyl (E)-2-decenoate, trans-2-Decenoic acid ethyl ester, Ethyl 2-decenoate, (2E)-, FEMA No. 3641, 2-Decenoic acid, ethyl ester, (E)-, Ethyl 2-decenoate, (E)-, ethyl (2E)-dec-2-enoate, EINECS 230-918-9, B2K05S6L5Q, ETHYL 2-(E)-DECENOATE, (E)-ethyl dec-2-enoate, DTXSID50884377, 37486-72-9, ETHYL TRANS-2-DECENOATE [FHFI], Ethyl (2E)-2-decenoate, MFCD00015299, ETHYLTRANS-2-DECENOATE, (2E)-ethyl 2-decenoate, UNII-B2K05S6L5Q, EINECS 253-524-9, DAEE, Ethyl-trans-2-decenoat, (E)-Ethyl 2-decenoate, Ethyl (2E)-2-decenoate #, SCHEMBL873713, Ethyl trans-2-decenoate, 97%, CHEBI:87324, Ethyl ester(E)-2-Decenoic acid, FEMA 3641, DTXCID101023820, Ethyl ester(2E)-2-Decenoic acid, GLXC-04161, LMFA07010851, AKOS015836247, HY-W127573, LS-14143, CS-0185794, D2767, NS00043759, D90112, Ethyl trans-2-decenoate, >=95%, FG (stabilised), Q27159526 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Description | Flavouring agent |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (E)-dec-2-enoate |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 4.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNJARWZWODMTDR-ZHACJKMWSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.033 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.84 |
| Synonyms | (e)-Ethyl 2-decenoate, 2-Decenoic acid, ethyl ester, (2E)-, 2-Decenoic acid, ethyl ester, (E)-, Ethyl (E)-2-decenoate, Ethyl 2-decenoate, Ethyl 2-decenoate, (E)-, Ethyl ester(2e)-2-decenoic acid, Ethyl ester(e)-2-decenoic acid, Ethyl trans-2-decenoate, FEMA 3641, trans-2-Decenoic acid ethyl ester, trans-2-Decenoate ethyl ester, Ethyl 2-decenoic acid, Ethyl (e)-2-decenoate, Ethyl ester(2E)-2-decenoic acid |
| Substituent Name | Fatty acid ester, Alpha,beta-unsaturated carboxylic ester, Enoate ester, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Ethyl 2-decenoate, (2E)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.278997199999999 |
| Inchi | InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+ |
| Smiles | CCCCCCC/C=C/C(=O)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Fatty acid esters |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all