149160-45-2
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)BARIUM TRIGLYME ADDUCT
NameBIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)BARIUM TRIGLYME ADDUCT
FormulaC22 H38 Ba O4 . C8 H18 O4
1Identification
【Name】
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)BARIUM TRIGLYME ADDUCT
【CAS】
【MDL】
MFCD01073800
【English Synonyms】
【Formula】
C22 H38 Ba O4 . C8 H18 O4
【MolWeight】
682.094
【Inchi】
InChI=1S/2C11H20O2.C8H18O4.Ba/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-9-3-5-11-7-8-12-6-4-10-2;/h2*7,12H,1-6H3;3-8H2,1-2H3;/q;;;+2/p-2/b2*8-7+;;
【InChIKey】
InChIKey=YTNLOLOFSZXOQX-COYDWXKQSA-L
【SMILES】
CC(C)(C)/C(=C\C(=O)C(C)(C)C)/O[Ba]O/C(=C/C(=O)C(C)(C)C)/C(C)(C)C.COCCOCCOCCOC
【MOL File】
BIS(2,2,6,6-TETRAMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)BARIUM TRIGLYME ADDUCT.cml