Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(III)

Catalog Number	ACM181418644-1
CAS	181418-64-4
Structure
Synonyms	(Z)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;titanium
IUPAC Name	(Z)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;titanium
Molecular Weight	600.7
Molecular Formula	C33H60O6Ti
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.[Ti]
InChI	InChI=1S/3C11H20O2.Ti/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
InChI Key	GDCBFXOQZJSCHZ-LWTKGLMZSA-N
Boiling Point	75 °C/0.1mmHg (lit.)
Purity	95%+
Appearance	Purple crystal
Storage	Sealed in dry,Room Temperature
Complexity	801
Exact Mass	600.3869303
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.[Ti]
Monoisotopic Mass	600.3869303
Rotatable Bond Count	9
Topological Polar Surface Area	112 Ų