3-Hexenyl 2-hexenoate, (3Z,2E)-
PubChem CID: 5367679
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| Compound Synonyms | cis-3-Hexenyl trans-2-hexenoate, 53398-87-1, [(Z)-hex-3-enyl] (E)-hex-2-enoate, C3 HEXENYL T2 HEXENOATE, 2-Hexenoic acid, 3-hexenyl ester, (E,Z)-, 3-Hexenyl 2-hexenoate, (3Z,2E)-, FEMA No. 3928, (2E)-2-Hexenoic Acid (3Z)-3-Hexenyl Ester, 2-Hexenoic acid, (3Z)-3-hexenyl ester, (2E)-, (Z)-3-hexenyl (E)-2-hexenoate, S3878T105H, 2-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (2E)-, (Z)-3-Hexenyl (E)-2-hexenoate [FIFH], (3Z)-hex-3-en-1-yl (2E)-hex-2-enoate, DTXSID001018195, (3Z)-3-Hexenyl (2E)-2-hexenoate, (Z)-Hex-3-en-1-yl (E)-hex-2-enoate, 3-HEXENYL TRANS-2-HEXENOATE, CIS-, (Z)-3-HEXENYL (E)-2-HEXENOATE [FHFI], (Z)-3-Hexenyl (E)-2-hexenoate (FIFH), UNII-S3878T105H, starbld0005612, hexenyl hexenoate (3z-), z-3-hexenyl e-2-hexenoate, SCHEMBL22390230, FEMA 3928, CHEBI:172049, DTXCID801476438, (3Z,2E)-3-hexenyl 2-hexenoate, LMFA07010809, AKOS006279438, FH23818, (3Z)-3-Hexen-1-yl (2E)-2-hexenoate, (2E)-2-Hexenoic Acid (3Z)-3-Hexenyl Ester, , Q27288524, 610-995-9 |
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| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | WAZKUHYKUCORDK-SUTBWYPISA-N |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 14.0 |
| Compound Name | 3-Hexenyl 2-hexenoate, (3Z,2E)- |
| Description | Cis-3-hexenyl trans-2-hexenoate, also known as (3z)-3-hexenyl (2e)-2-hexenoate or fema 3928, is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Thus, cis-3-hexenyl trans-2-hexenoate is considered to be a fatty ester lipid molecule. Cis-3-hexenyl trans-2-hexenoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-3-hexenyl trans-2-hexenoate has a fruity, green, and pear taste. |
| Exact Mass | 196.146 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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 | [(Z)-hex-3-enyl] (E)-hex-2-enoate |
| Total Atom Stereocenter Count | 0.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+ |
| Smiles | CCC/C=C/C(=O)OCC/C=C\CC |
| Xlogp | 3.7 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C12H20O2 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all