2-Hexenyl acetate, (2E)-
PubChem CID: 2733294
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| Compound Synonyms | trans-2-Hexenyl acetate, 2497-18-9, 2-Hexenyl acetate, trans-Hex-2-enyl acetate, [(E)-hex-2-enyl] acetate, (E)-2-HEXENYL ACETATE, 2-Hexen-1-ol, acetate, 2-Hexen-1-ol, 1-acetate, (2E)-, trans-2-hexen-1-yl acetate, 2-Hexen-1-yl-acetate, 2-Hexenyl acetate, (2E)-, (E)-Hex-2-enyl acetate, 2-Hexen-1-ol, acetate, (E)-, (e)-2-hexen-1-yl acetate, FEMA No. 2564, (E)-Hex-2-en-1-yl acetate, 2-Hexenyl acetate, trans-, Trans-2-HEXENYLACETATE, 2E-Hexenyl acetate, BRN 1721851, XDV436N45E, 2-Hexen-1-yl acetate, trans-, Acetic Acid trans-2-Hexenyl Ester, EINECS 219-680-7, (2E)-2-Hexenyl acetate, (E)-2-hexen-1-ol acetate, trans-hex-2-en-1-yl acetate, AI3-34393, (2E)-hex-2-en-1-yl acetate, CHEBI:141209, DTXSID40879237, 4-02-00-00187 (Beilstein Handbook Reference), HEXEN-1-YL ACETATE [FHFI], (E)-2-HEXENYL ACETATE [FCC], HEXEN-1-YL ACETATE, TRANS-2-, ((E)-hex-2-enyl) acetate, EINECS 233-223-9, hex-2-en-1-yl acetate, UNII-XDV436N45E, 2-Hexenol acetate, hexen-1-yl acetate, MFCD00009474, 2-Hexen-1-ol acetate, SCHEMBL112504, SCHEMBL112505, CHEMBL2251453, trans-2-Hexenyl acetate, 98%, FEMA 2564, DTXCID50909236, (E)-Acetic acid hex-2-enyl ester, LMFA07010178, CS-W018282, LS-13478, A0877, NS00012569, trans-2-Hexenyl acetate, >=98%, FCC, FG, E75960, Q209406, 219-680-7 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | HRHOWZHRCRZVCU-AATRIKPKSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (2E)-2-Hexenyl acetate, (E)-2-Hexen-1-yl acetate, (E)-2-Hexenyl acetate, (E)-hex-2-enyl acetate, 2-Hexen-1-ol acetate, 2-Hexen-1-yl-acetate, 2-Hexenyl acetate, FEMA 2564, hex-2-en-1-yl acetate, Hex-2-enyl acetate, trans-2-Hexenyl acetate, Trans-2-HEXENYLACETATE, trans-hex-2-enyl acetate, (e)-2-Hexen-1-ol acetate, (e)-2-Hexenyl acetate, trans-2-Hexen-1-yl acetate, trans-Hex-2-en-1-yl acetate, trans-Hex-2-enyl acetate, (e)-2-Hexen-1-ol acetic acid, (e)-2-Hexenyl acetic acid, trans-2-Hexen-1-yl acetic acid, trans-2-Hexenyl acetic acid, trans-Hex-2-en-1-yl acetic acid, trans-Hex-2-enyl acetic acid, 2-Hexenyl acetic acid, (e)-2-Hexen-1-yl acetate, (e)-Hex-2-enyl acetate, Hex-2-en-1-yl acetate, trans-2-HEXENYLACETATE, 2E-Hexenyl acetic acid |
| Heavy Atom Count | 10.0 |
| Compound Name | 2-Hexenyl acetate, (2E)- |
| Kingdom | Organic compounds |
| Description | Found in strawberry (Fragaria) and other fruits and essential oils. It is used in artificial fruit flavours |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-hex-2-enyl] acetate |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 1.0 |
| Class | Carboxylic acids and derivatives |
| Inchi | InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+ |
| Smiles | CCC/C=C/COC(=O)C |
| Xlogp | 2.0 |
| Superclass | Organic acids and derivatives |
| Defined Bond Stereocenter Count | 1.0 |
| Subclass | Carboxylic acid derivatives |
| Taxonomy Direct Parent | Carboxylic acid esters |
| Molecular Formula | C8H14O2 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all