Tris(2,2,6,6-tetramethyl-3,5-heptane- dionato)ytterbium

Catalog Number	ACM15492521-1
CAS	15492-52-1
Structure
Synonyms	(Z)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;ytterbium
Molecular Weight	725.9
Molecular Formula	C33H60O6Yb
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Yb]
InChI	InChI=1S/3C11H20O2.Yb/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
InChI Key	HIZKKNPMYSUCGY-LWTKGLMZSA-N
Melting Point	165-168 °C
Purity	99%+
Appearance	Crystal
Complexity	801
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	726.3778572
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isomeric SMILES	CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Yb]
Monoisotopic Mass	726.3778572
Rotatable Bond Count	9
Topological Polar Surface Area	112 Ų