Secondary metabolite:Hexyl acetate



EOCID001923
Summary

sCentInDB Chemical identifier: EOCID001923

Chemical name: Hexyl acetate

Molecular formula: C8H16O2

SMILES: CCCCCCOC(=O)C

InChI: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3

InChIKey: AOGQPLXWSUTHQB-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Organic acids and derivatives

Class: Carboxylic acids and derivatives

Subclass: Carboxylic acid derivatives


Synonymous chemical name(s):
hexyl acetate


External chemical identifier(s):
CID:8908, CHEMBL2228454, CHEBI:87510, CHEMSPIDER:8568, ZINC000001683479, FDASRS:7U7KU3MWT0, MOLPORT:003-925-830, SURECHEMBL:SCHEMBL94650


Spectrabase ID:
FxYvnCSLVv4


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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