Isoamyl acetate 3D structure

Isoamyl acetate (also called 3-Methylbutyl acetate, Isopentyl acetate) has the formula C7H14O2 and a molar mass of 130.18 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
C7H14O2
Molar mass
130.18 g/mol
PubChem CID
31276
Heavy atoms
9
Category
Food, flavor and fragrance

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name3-methylbutyl acetate
SMILESCC(C)CCOC(=O)C
PubChem CID31276
Other names3-Methylbutyl acetate, Isopentyl acetate, Isopentyl ethanoate, Isoamyl ethanoate, 3-Methylbutyl ethanoate

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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