chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)

C24H36Cl2Ru2 — CID 11072056

IUPACchlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cl[Ru].Cl[Ru]
InChIInChI=1S/2C12H18.2ClH.2Ru/c2*1-7-8(2)10(4)12(6)11(5)9(7)3;;;;/h2*1-6H3;2*1H;;/q;;;;2*+1/p-2
InChIKeyYPKRJQGTKDSDNT-UHFFFAOYSA-L
MW597.60 g/mol
LogP8.45
Rot. Bonds

About chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)

chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene) (PubChem CID 11072056) has the molecular formula C24H36Cl2Ru2 and a molecular weight of 597.60 g/mol. Its IUPAC name is chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene).

Molecular Properties

Compound Namechlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)
PubChem CID11072056
Molecular FormulaC24H36Cl2Ru2
Molecular Weight597.60 g/mol
Exact Mass598.03
IUPAC Namechlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cl[Ru].Cl[Ru]
InChIInChI=1S/2C12H18.2ClH.2Ru/c2*1-7-8(2)10(4)12(6)11(5)9(7)3;;;;/h2*1-6H3;2*1H;;/q;;;;2*+1/p-2
InChIKeyYPKRJQGTKDSDNT-UHFFFAOYSA-L
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.60
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 144963527
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1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)
CID 16687457
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
CID 134902011
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 20692314
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
CID 18722884
CID 18722884
carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese
CID 11747742
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623

Frequently Asked Questions

What is the IUPAC name of chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)?
The IUPAC name of chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene) (CID 11072056) is chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene).
What is the SMILES notation for chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)?
The canonical SMILES for chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene) is Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cl[Ru].Cl[Ru].
What is the InChIKey of chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)?
The InChIKey is YPKRJQGTKDSDNT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18.2ClH.2Ru/c2*1-7-8(2)10(4)12(6)11(5)9(7)3;;;;/h2*1-6H3;2*1H;;/q;;;;2*+1/p-2.
What are the key properties of chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)?
chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene) has a molecular weight of 597.60 g/mol, XLogP of 8.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene) is sourced from PubChem (CID 11072056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).