Vitas-M small molecule compound

2,7-dimethyl-3,6-di(propan-2-yl)oct-4-yne-3,6-diol

Catalog ID
STK730935
SMILES CC(C(C(C)C)(C#CC(C(C)C)(C(C)C)O)O)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 C16H30O2 MW 254.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H30O2/c1-11(2)15(17,12(3)4)9-10-16(18,13(5)6)14(7)8/h11-14,17-18H,1-8H3
InChIKey
DRQBTGVUPGPKCN-UHFFFAOYSA-N
Synonyms
6289-25-4
27dimethyl36di(propan2yl)oct4yne36diol
36BIS(METHYLETHYL)27DIMETHYLOCT4YNE36DIOL
36DIISOPROPYL27DIMETHYLOCT4YNE36DIOL
4OCTYNE336DIISOPROPYL27DIMETHYL
4OCTYNE36DIOL27DIMETHYL36BIS(1METHYLETHYL)
6289254
CC(C)C(C#CC(C(C)C)(C(C)C)O)(C(C)C)O
InChI=1SC16H30O2c111(2)15(1712(3)4)91016(1813(5)6)14(7)8h11141718H18H3
MFCD00444427
ZINC000001687076
ZINC01687076
ZINC1687076

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Available files

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