Vitas-M small molecule compound

4-(propan-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

Catalog ID
STL511284
SMILES O=C1C=C2CCCCC2C(C1)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 C13H20O MW 192.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20O/c1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13/h7,9,12-13H,3-6,8H2,1-2H3
InChIKey
RDSXSBDWUFIODU-UHFFFAOYSA-N
Synonyms
351991-70-3
351991703
3661066
4(propan2yl)44a5678hexahydronaphthalen2(3H)one
4isopropyl44a5678hexahydronaphthalen2(3H)one
4propan2yl44~(a)5678hexahydro3~(H)naphthalen2one
InChI=1SC13H20Oc19(2)13811(14)710534612(10)13h791213H368H212H3
MFCD00297161
ZINC000002132734
ZINC000100742960

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Available files

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