Synonyms
152248-67-4;MFCD00269847;Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)oxotitanium(IV);Oxobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV), 95%;Titanium,oxobis(2,2,6,6-tetramethyl-3,5-heptanedionato-kO3,kO5)-;
IUPAC Name
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;oxotitanium;
Molecular Weight
432.424g/mol
Molecular Formula
C22H40O5Ti;
Canonical SMILES
CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.O=[Ti];
InChI
InChI=1S/2C11H20O2.O.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*7,12H,1-6H3;;/b2*8-7-;;;
InChI Key
XIKXPWMOEGTKNT-ZJCTYWPYSA-N;
Complexity
522
Covalently-Bonded Unit Count
3
Defined Bond Stereocenter Count
2
Exact Mass
432.236g/mol
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
28
Monoisotopic Mass
432.236g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
91.7A^2
