Geosmin 3D structure

Geosmin (also called trans-1,10-Dimethyl-trans-9-decalol, trans-1,10-dimethyl-trans-decalol) has the formula C₁₂H₂₂O and a molar mass of 182.30 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: C₁₂H₂₂O
Molar mass: 182.30 g/mol
PubChem CID: 29746
Heavy atoms: 13
Category: Food, flavor and fragrance

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SMILES	`C[C@H]1CCC[C@@]2([C@@]1(CCCC2)O)C`
PubChem CID	29746
Other names	trans-1,10-Dimethyl-trans-9-decalol, trans-1,10-dimethyl-trans-decalol, 1,10-Dimethyl-9-decalol, rac Geosmin, 4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol

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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