chempirical

Ruthenium ii cyclooctadiene bis-(2,2,6,6-tetramethylheptanedionate)

C16H26RuCAS 12289-94-0319.45 g/mol

Open in Covalent MOL file
CH2−CH2−Ru2+
Alkene

Properties

Molecular formula
C16H26Ru
Molar mass
319.45 g/mol
Exact mass
320.1078 Da
logP
5.46Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Double bonds
Z, ZE/Z, in SMILES order

Identifiers

CAS number
12289-94-0
SMILES
CC(=C)[CH2-].CC(=C)[CH2-].C1/C=C\CC/C=C\C1.[Ru+2]
InChIKey
POYBJJLKGYXKJH-PHFPKPIQSA-N
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-;;;

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Ruthenium ii cyclooctadiene bis-(2,2,6,6-tetramethylheptanedionate)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]ruthenium50982-12-238 % similar Dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]ruthenium50982-13-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook