1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide

C10H16I2Ru — CID 175953909

IUPAC1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
SMILESCc1ccc(C(C)C)cc1.I.I.[Ru]
InChIInChI=1S/C10H14.2HI.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;
InChIKeyVKGQDSGHAOJAIZ-UHFFFAOYSA-N
MW491.12 g/mol
LogP4.35
Rot. Bonds1

About 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide

1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide (PubChem CID 175953909) has the molecular formula C10H16I2Ru and a molecular weight of 491.12 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
PubChem CID175953909
Molecular FormulaC10H16I2Ru
Molecular Weight491.12 g/mol
Exact Mass491.84
IUPAC Name1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
SMILESCc1ccc(C(C)C)cc1.I.I.[Ru]
InChIInChI=1S/C10H14.2HI.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;
InChIKeyVKGQDSGHAOJAIZ-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.12
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
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
aniline;1-methyl-4-propan-2-ylbenzene
CID 19435769

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide?
The IUPAC name of 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide (CID 175953909) is 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide.
What is the SMILES notation for 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide?
The canonical SMILES for 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide is Cc1ccc(C(C)C)cc1.I.I.[Ru].
What is the InChIKey of 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide?
The InChIKey is VKGQDSGHAOJAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2HI.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;.
What are the key properties of 1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide?
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide has a molecular weight of 491.12 g/mol, XLogP of 4.35, 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;dihydroiodide is sourced from PubChem (CID 175953909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).