Rutheniumcyclooctadienebis(2,2,6,6-Tetramethylheptanedionate)

Catalog Number	ACM12289940
CAS	12289-94-0
Structure
Synonyms	Bis(2-methylallyl)(1,5-cyclooctadiene)ruthenium(II)
Molecular Weight	319.45
Molecular Formula	C16H26Ru
Canonical SMILES	CC(=C)[CH2-].CC(=C)[CH2-].C1CC=CCCC=C1.[Ru+2]
InChI	InChI=1S/C8H12.2C4H7.Ru/c1-2-4-6-8-7-5-3-1;2*1-4(2)3;/h1-2,7-8H,3-6H2;2*1-2H2,3H3;/q;2*-1;+2/b2-1-,8-7-;
InChI Key	POYBJJLKGYXKJH-PHFPKPIQSA-N
Melting Point	81-85 °C
Purity	98%
Appearance	Brown crystalline powder
Complexity	143
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	320.107791
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(=C)[CH2-].CC(=C)[CH2-].C1/C=C\CC/C=C\C1.[Ru+2]
Monoisotopic Mass	320.107791
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų