Vitas-M small molecule compound

6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one

Catalog ID
STL372758
SMILES CC(=O)C(CC=C(C)C)CC=C(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C13H22O MW 194.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H22O/c1-10(2)6-8-13(12(5)14)9-7-11(3)4/h6-7,13H,8-9H2,1-5H3
InChIKey
XQRBPMRCHFTCNL-UHFFFAOYSA-N
Synonyms

27NONADIENE28DIMETHYL5ACETYL
3(3METHYL2BUTENYL)6METHYL5HEPTEN2ONE
36METHYL5HEPTEN2ONE
5HEPTEN2ONE6METHYL3(3METHYL2BUTEN1YL)
5HEPTEN2ONE6METHYL3(3METHYL2BUTENYL)
6METHYL3(3METHYLBUT2EN1YL)HEPT5EN2ONE
6METHYL3(3METHYLBUT2ENYL)HEPT5EN2ONE
CC(=CCC(CC=C(C)C)C(=O)C)C
InChI=1SC13H22Oc110(2)6813(12(5)14)9711(3)4h6713H89H215H3
MFCD00481932
ZINC000001841047
ZINC01841047
ZINC1841047

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.