Synonyms
Bis(t-butylacetoacetato)copper(II)
IUPAC Name
Copper;(E)-4-hydroxy-4-[(2-methylpropan-2-yl)oxy]but-3-en-2-one
Molecular Weight
379.94
Molecular Formula
C16H28CuO6;
Canonical SMILES
CC(=O)C=C(O)OC(C)(C)C.CC(=O)C=C(O)OC(C)(C)C.[Cu]
InChI
InChI=1S/2C8H14O3.Cu/c2*1-6(9)5-7(10)11-8(2,3)4;/h2*5,10H,1-4H3;/b2*7-5+;
InChI Key
PYUZEVMSEZUONY-XXXYRMOLSA-N
Melting Point
105-110 °C
Purity
95%+
Appearance
Solid
Complexity
397
Covalently-Bonded Unit Count
3
Defined Bond Stereocenter Count
2
Exact Mass
379.118186
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
23
Monoisotopic Mass
379.118186
Rotatable Bond Count
6
Topological Polar Surface Area
93.1 Ų
