Hedione 3D structure

Hedione (also called Methyl dihydrojasmonate, Kharismal) has the formula C13H22O3 and a molar mass of 226.31 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C13H22O3
Molar mass
226.31 g/mol
PubChem CID
102861
Heavy atoms
16
Category
Food, flavor and fragrance

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC namemethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
SMILESCCCCCC1C(CCC1=O)CC(=O)OC
PubChem CID102861
Other namesMethyl dihydrojasmonate, Kharismal, FEMA No. 3408, Methyl 3-oxo-2-pentyl-cyclopentaneacetate, methyl 3-oxo-2-pentylcyclopentylacetate

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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