1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide

C12H20I2Ru — CID 159746066

IUPAC1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
SMILESCc1c(C)c(C)c(C)c(C)c1C.I.I.[Ru]
InChIInChI=1S/C12H18.2HI.Ru/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;/h1-6H3;2*1H;
InChIKeyLZGJNRKIVUEYPB-UHFFFAOYSA-N
MW519.17 g/mol
LogP4.77
Rot. Bonds

About 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide

1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide (PubChem CID 159746066) has the molecular formula C12H20I2Ru and a molecular weight of 519.17 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
PubChem CID159746066
Molecular FormulaC12H20I2Ru
Molecular Weight519.17 g/mol
Exact Mass519.87
IUPAC Name1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
SMILESCc1c(C)c(C)c(C)c(C)c1C.I.I.[Ru]
InChIInChI=1S/C12H18.2HI.Ru/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;/h1-6H3;2*1H;
InChIKeyLZGJNRKIVUEYPB-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.17
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide?
The IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide (CID 159746066) is 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide is Cc1c(C)c(C)c(C)c(C)c1C.I.I.[Ru].
What is the InChIKey of 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide?
The InChIKey is LZGJNRKIVUEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.2HI.Ru/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;/h1-6H3;2*1H;.
What are the key properties of 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide?
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide has a molecular weight of 519.17 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide is sourced from PubChem (CID 159746066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).