Vitas-M small molecule compound

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

Catalog ID
STL570067
SMILES C/C=C/C(=O)C1=C(C)CCCC1(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/h5,7H,6,8-9H2,1-4H3/b7-5+
InChIKey
BGTBFNDXYDYBEY-FNORWQNLSA-N
Synonyms
23726-91-2
(2E)1(266trimethylcyclohex1en1yl)but2en1one
(E)1(266TRIMETHYL1CYCLOHEXEN1YL)2BUTEN1ONE
(E)1(266TRIMETHYL1CYCLOHEXENYL)BUT2EN1ONE
(E)1(266trimethylcyclohex1en1yl)but2en1one
(E)1(266TRIMETHYLCYCLOHEX1ENYL)2BUTEN1ONE
(E)1(266TRIMETHYLCYCLOHEX1ENYL)BUT2EN1ONE
(E)1(266trimethylcyclohexen1yl)but2en1one
(Z)1(266TRIMETHYLCYCLOHEXEN1YL)BUT2EN1ONE
1(266TRIMETHYL1CYCLOHEXEN1YL)2BUTEN1ONE
1(266TRIMETHYLCYCLOHEX1ENYL)BUT2EN1ONE
23726912
266TRIMETHYL1CROTONOYL1CYCLOHEXENE
2BUTEN1ONE1(266TRIMETHYL1CYCLOHEXEN1YL)
2BUTEN1ONE1(266TRIMETHYL1CYCLOHEXEN1YL)(2E)
2BUTEN1ONE1(266TRIMETHYL1CYCLOHEXEN1YL)(E)(8CI9CI)
2BUTEN1ONE1(266TRIMETHYLCYCLOHEX1ENYL)(E)
34DIHYDRO347MEGASTIGMATRIEN7ONE
3BUTEN1ONE4(266TRIMETHYL1(OR2)CYCLOHEXEN1YL)
4(266TRIMETHYLCYCLOHEX1ENYL)BUT2EN4ONE
5374527
CC=CC(=O)C1=C(C)CCCC1(C)C
InChI=1SC13H20Oc15711(14)1210(2)86913(123)4h57H689H214H3b75+
MFCD00661756
ROSEDIHYDROKETONE
TRANS266TRIMETHYL1CROTONOYL1CYCLOHEXENE
ZINC000100042658

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Available files

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