Ethyl 2,4-decadienoate, (2E,4Z)-
PubChem CID: 5281162
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| Compound Synonyms | 3025-30-7, ethyl (2E,4Z)-deca-2,4-dienoate, Ethyl 2-trans-4-cis-decadienoate, Ethyl (2E,4Z)-decadienoate, 2,4-Decadienoic acid, ethyl ester, (2E,4Z)-, Ethyl (E,Z)-2,4-decadienoate, Ethyl trans-2,cis-4-decadienoate, Ethyl (2E,4Z)-2,4-decadienoate, ethyl decadienoate, FEMA No. 3148, Pear ester, ethyl-2e,4z-decadienoate, Ethyl-2-trans-4-cis-decadienoate, E,Z-Ethyl 2,4-decadienoate, Ethyl 2Z,4E-decadienoic acid, 79P6KS9Y5Z, CHEBI:4896, DTXSID0041357, Ethyl 2,4-decadienoate, (E,Z)-, EINECS 221-178-8, ethyl 2E,4Z-decadienoate, Ethyl (E,Z)-decadienoate, Ethyl 2,4-decadienoate, (2E,4Z)-, BRN 1724176, 2,4-Decadienoic acid, ethyl ester, (E,Z)-, DTXCID8021357, WE(2:0/10:2(2E,4Z)), 4-02-00-01731 (Beilstein Handbook Reference), (2E,4Z)-Ethyl deca-2,4-dienoate, ETHYL (2E,4Z)-DECA-2,4-DIENOATE [MI], ETHYL TRANS-2,CIS-4-DECADIENOATE [FHFI], Ethyl-deca-(2E,4Z)-dienoate, Ethyl 2,4 (E,Z)-decadienoate, UNII-79P6KS9Y5Z, Ethyl (2E,4E)-2,4-decadienoate, Ethyl (E)-2,(Z)-4-decadienoate, FEMA 3148, MFCD00082225, (2E,4Z)-2,4-Decadienoic acid ethyl ester, Ethyl(E,Z)-decadienoate, Ethly 2E,4Z-Decadienoate, SCHEMBL258128, CHEMBL2229606, ETHYL DECADIENOATE [INCI], Ethyl 2-trans-4-cis-decandienoate, ethyl-2,4- trans, cisdecadienoate, (2E,4Z)-ethyl 2,4-decadienoate, (2E,4Z)-Ethyldeca-2,4-dienoate, Tox21_300673, LMFA07010480, AKOS027320442, FE32345, HY-W322222, Ethyl Ester(e,z)-2,4-decadienoic Acid, NCGC00248136-01, NCGC00254581-01, AS-65787, CAS-3025-30-7, Ethyl 2-trans-4-cis-decadienoate, >=80%, Ethyl ester(2E,4Z)-2,4-Decadienoic acid, CS-0362811, NS00012389, trans,cis-deca-2,4-dienoic acid ethyl ester, (2E,4Z)-deca-2,4-dienoic acid ethyl ester, C08486, G77894, Q5404449, Ethyl 2-trans-4-cis-decadienoate, natural, >=95%, FG, Ethyl 2-trans-4-cis-decadienoate, >=95%, stabilized, FG, Ethyl 2-trans-4-cis-decadienoate, technical, >=97.0% (sum of isomers, GC), 221-178-8 |
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| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | OPCRGEVPIBLWAY-QNRZBPGKSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2,4-Decadienoic acid, ethyl ester, (2E,4Z)-, 2,4-decadienoic Acid, Ethyl Ester, (e,z)-, Ethyl (2E,4E)-2,4-decadienoate, ethyl (2E,4Z)-2,4-decadienoate, Ethyl (2E,4Z)-decadienoate, Ethyl (E,Z)-2,4-decadienoate, Ethyl (E,Z)-decadienoate, ethyl (E)-2,(Z)-4-decadienoate, Ethyl 2-trans-4-cis-decadienoate, Ethyl 2,4 (E,Z)-decadienoate, Ethyl 2,4-decadienoate, Ethyl trans-2,cis-4-decadienoate, Ethyl-deca-(2E,4Z)-dienoate, Ethyl(e,z)-decadienoate, FEMA 3148, Pear ester |
| Heavy Atom Count | 14.0 |
| Compound Name | Ethyl 2,4-decadienoate, (2E,4Z)- |
| Description | Constituent of odoriferous principle of Bartlett pearsand is) also present in fresh apple, Vitis subspecies, quince and spineless monkey orange (Strychnos madagasc). Flavouring agent. Pear ester is found in pomes, fruits, and pear. |
| Exact Mass | 196.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.146 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (2E,4Z)-deca-2,4-dienoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+ |
| Smiles | CCCCC/C=C\C=C\C(=O)OCC |
| Xlogp | 4.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C12H20O2 |
- 1. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:fooddb_chem_all