18865-74-2
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)ZIRCONIUM(IV)
NameTETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)ZIRCONIUM(IV)
1Identification
【Name】
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)ZIRCONIUM(IV)
【CAS】
【MDL】
MFCD00145380
【English Synonyms】
【Formula】
C44 H76 O8 Zr
【MolWeight】
824.3
【Inchi】
InChI=1S/4C11H20O2.Zr/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;/h4*7,12H,1-6H3;/q;;;;+4/p-4/b4*8-7-;
【InChIKey】
InChIKey=MLSNEJQSDZMDFZ-DNSQIVDOSA-J
【SMILES】
CC(C)(C)/C(=C/C(=O)C(C)(C)C)/O[Zr](O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C)(O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C)O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C
【MOL File】
TETRAKIS(2,2,6,6-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:7.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)ZIRCONIUM(IV).cml