(E)-Hex-3-enyl propionate
PubChem CID: 5352977
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| Compound Synonyms | (E)-Hex-3-enyl propionate, 53398-81-5, [(E)-hex-3-enyl] propanoate, 3-Hexenyl propionate, (3E)-, NZ4EH67031, EINECS 258-514-8, UNII-NZ4EH67031, e-3-hexenyl propanoate, (3E)-3-hexenyl propionate, Hex-trans-3-enyl propionate, SCHEMBL649881, SCHEMBL2774150, (E)-3-Hexen-1-ol, propanoate, DTXSID201037426, TRANS-3-HEXENYL PROPANOATE, TRANS-3-HEXENYL PROPIONATE, AKOS015903009, Propanoic acid, (E)-3-hexenyl ester, LS-13684, DB-247245, NS00090030, 3-HEXEN-1-OL, 1-PROPANOATE, (3E)-, Q27285114 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | LGTLDEUQCOJGFP-AATRIKPKSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | (3E)-Hex-3-en-1-yl propanoic acid, Hex-trans-3-enyl propionic acid |
| Heavy Atom Count | 11.0 |
| Compound Name | (E)-Hex-3-enyl propionate |
| Kingdom | Organic compounds |
| Description | Hex-trans-3-enyl propionate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Hex-trans-3-enyl propionate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Hex-trans-3-enyl propionate can be found in tea, which makes hex-trans-3-enyl propionate a potential biomarker for the consumption of this food product. |
| Exact Mass | 156.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.115 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 156.22 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-hex-3-enyl] propanoate |
| 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/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| Smiles | CC/C=C/CCOC(=O)CC |
| Xlogp | 2.4 |
| Superclass | Organic acids and derivatives |
| Defined Bond Stereocenter Count | 1.0 |
| Subclass | Carboxylic acid derivatives |
| Taxonomy Direct Parent | Carboxylic acid esters |
| Molecular Formula | C9H16O2 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all