Beta-ionone 3D structure

Beta-ionone (also called trans-beta-Ionone, FEMA No. 2595) has the formula C₁₃H₂₀O and a molar mass of 192.30 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: C₁₃H₂₀O
Molar mass: 192.30 g/mol
PubChem CID: 638014
Heavy atoms: 14
Category: Food, flavor and fragrance

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
SMILES	`CC1=C(C(CCC1)(C)C)/C=C/C(=O)C`
PubChem CID	638014
Other names	trans-beta-Ionone, FEMA No. 2595, I2-Ionone, b-ionone, beta-E-Ionone

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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