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

C10H14Cl2Ru — CID 11551268

IUPAC1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
SMILESCc1ccc(C(C)C)cc1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyUCXDWSTYBSBFFB-UHFFFAOYSA-L
MW306.20 g/mol
LogP-2.88
Rot. Bonds1

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

1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride (PubChem CID 11551268) has the molecular formula C10H14Cl2Ru and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
PubChem CID11551268
Molecular FormulaC10H14Cl2Ru
Molecular Weight306.20 g/mol
Exact Mass305.95
IUPAC Name1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
SMILESCc1ccc(C(C)C)cc1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyUCXDWSTYBSBFFB-UHFFFAOYSA-L
XLogP-2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
CID 71349867
ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
CID 163240911
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
CID 12995384
bromo-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
CID 170693012

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride?
The IUPAC name of 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride (CID 11551268) is 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride.
What is the SMILES notation for 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride?
The canonical SMILES for 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride is Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride?
The InChIKey is UCXDWSTYBSBFFB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride?
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride has a molecular weight of 306.20 g/mol, XLogP of -2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride is sourced from PubChem (CID 11551268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).