Vitas-M small molecule compound

1,1':3',1''-ter(cyclohexane)-1(1'),1''(3')-dien-2'-one

Catalog ID
STK536204
SMILES O=C1C(=C2CCCCC2)CCCC1=C1CCCCC1

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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 C18H26O MW 258.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H2
InChIKey
UXLWGCCTUFJXDJ-UHFFFAOYSA-N
Synonyms
3293-32-1
(1131tercyclohexane)1(1)1(3)dien2one
1131ter(cyclohexane)1(1)1(3)dien2one
26DI(CYCLOHEXYLIDENE)CYCLOHEXAN1ONE
26DICYCLOHEXYLIDENECYCLOHEXAN1ONE
26DICYCLOHEXYLIDENECYCLOHEXANONE
3293321
C1CCC(=C2CCCC(=C3CCCCC3)C2=O)CC1
CYCLOHEXANONE26DICYCLOHEXYLIDENE
InChI=1SC18H26Oc191816(148314914)1271317(18)15105261115h113H2
MFCD00795164
ZINC000002270960
ZINC02270960
ZINC2270960

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Available files

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