Secondary metabolite:3-Methylbutyl 2-methylbutanoate



EOCID001628
Summary

sCentInDB Chemical identifier: EOCID001628

Chemical name: 3-Methylbutyl 2-methylbutanoate

Molecular formula: C10H20O2

SMILES: CCC(C(=O)OCCC(C)C)C

InChI: InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3

InChIKey: VGIRHYHLQKDEPP-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Fatty Acyls

Subclass: Fatty acid esters


Synonymous chemical name(s):
isopentyl-2-methyl butanoate, isopentyl 2-methyl butanoate, 2-methylbutanoic acid 3-methylbutyl ester


External chemical identifier(s):
CID:520326, CHEMSPIDER:453868, FDASRS:7LGN25Y6EK, MOLPORT:003-960-130, SURECHEMBL:SCHEMBL891188


Spectrabase ID:
Dilf9mPdj8N


Chemical structure download

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