Vitas-M small molecule compound

(2E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one

Catalog ID
STK028773
SMILES C/C=C/C(=O)C1C(C)C=CCC1(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 C13H20O MW 192.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+
InChIKey
XEJGJTYRUWUFFD-FNORWQNLSA-N
Synonyms
359865-01-3
(1ALPHA(E)2BETA)1(266TRIMETHYLCYCLOHEX3EN1YL)BUT2EN1ONE
(2E)1(266TRIMETHYL3CYCLOHEXEN1YL)2BUTEN1ONE
(2E)1(266TRIMETHYLCYCLOHEX3EN1YL)BUT2EN1ONE
(E)1(266TRIMETHYL1CYCLOHEX3ENYL)BUT2EN1ONE
(E)1(266TRIMETHYL3CYCLOHEXENYL)2BUTENE1ONE
(E)1(266TRIMETHYLCYCLOHEX3EN1YL)BUT2EN1ONE
(E)1(2BETA66TRIMETHYL3CYCLOHEXEN1ALPHAYL)2BUTENE1ONE
1(266TRIMETHYL3CYCLOHEXEN1YL)2BUTEN1ONE
1(266TRIMETHYL3CYCLOHEXEN1YL)2BUTEN1ONEDELTADAMASCONE
1(266TRIMETHYL3CYCLOHEXENYL)2BUTEN1ONE
2BUTEN1ONE1((1R2S)266TRIMETHYL3CYCLOHEXEN1YL)(2E)REL
2BUTEN1ONE1(266TRIMETHYL
2BUTEN1ONE1(266TRIMETHYL3CYCLOHEXEN1YL)
2BUTEN1ONE1(266TRIMETHYL3CYCLOHEXEN1YL)(1ALPHA(E)2BETA)
2BUTEN1ONE1(266TRIMETHYL3CYCLOHEXEN1YL)(2E)
359865013
CC=CC(=O)C1C(C)C=CCC1(C)C
CC=CC(=O)C1C(C=CCC1(C)C)C
InChI=1SC13H20Oc15711(14)1210(2)86913(123)4h581012H9H214H3b75+
MFCD00489848
STK028773
ZINC000002002060
ZINC000020058065

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Available files

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