bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride

C20H28Cl4Ru2 — CID 11319478

IUPACbis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
SMILESCc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl[Ru+].Cl[Ru+].[Cl-].[Cl-]
InChIInChI=1S/2C10H14.4ClH.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyLAXRNWSASWOFOT-UHFFFAOYSA-J
MW612.40 g/mol
LogP1.62
Rot. Bonds2

About bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride

bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride (PubChem CID 11319478) has the molecular formula C20H28Cl4Ru2 and a molecular weight of 612.40 g/mol. Its IUPAC name is bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride.

Molecular Properties

Compound Namebis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
PubChem CID11319478
Molecular FormulaC20H28Cl4Ru2
Molecular Weight612.40 g/mol
Exact Mass611.90
IUPAC Namebis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
SMILESCc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl[Ru+].Cl[Ru+].[Cl-].[Cl-]
InChIInChI=1S/2C10H14.4ClH.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyLAXRNWSASWOFOT-UHFFFAOYSA-J
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
CID 71349867
chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
CID 12995384
ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
CID 163240911
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
1-(2-chloroethyl)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 159659328

Frequently Asked Questions

What is the IUPAC name of bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride?
The IUPAC name of bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride (CID 11319478) is bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride.
What is the SMILES notation for bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride?
The canonical SMILES for bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride is Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl[Ru+].Cl[Ru+].[Cl-].[Cl-].
What is the InChIKey of bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride?
The InChIKey is LAXRNWSASWOFOT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H14.4ClH.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride?
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride has a molecular weight of 612.40 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride is sourced from PubChem (CID 11319478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).