1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide

C10H14I3Ru — CID 175881712

IUPAC1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
SMILESCc1ccc(C(C)C)cc1.[I-].[I-].[I-].[Ru+3]
InChIInChI=1S/C10H14.3HI.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;;/h4-8H,1-3H3;3*1H;/q;;;;+3/p-3
InChIKeyBTCKCTXUWCUFPZ-UHFFFAOYSA-K
MW616.00 g/mol
LogP-5.87
Rot. Bonds1

About 1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide

1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide (PubChem CID 175881712) has the molecular formula C10H14I3Ru and a molecular weight of 616.00 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
PubChem CID175881712
Molecular FormulaC10H14I3Ru
Molecular Weight616.00 g/mol
Exact Mass616.73
IUPAC Name1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
SMILESCc1ccc(C(C)C)cc1.[I-].[I-].[I-].[Ru+3]
InChIInChI=1S/C10H14.3HI.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;;/h4-8H,1-3H3;3*1H;/q;;;;+3/p-3
InChIKeyBTCKCTXUWCUFPZ-UHFFFAOYSA-K
XLogP-5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.00
LogP ≤ 5-5.87
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(2+);dichloride
CID 11551268
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
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
CID 163240911
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
CID 12995384
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
CID 71349867
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(3+);triiodide?
The IUPAC name of 1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide (CID 175881712) is 1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide.
What is the SMILES notation for 1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide?
The canonical SMILES for 1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide is Cc1ccc(C(C)C)cc1.[I-].[I-].[I-].[Ru+3].
What is the InChIKey of 1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide?
The InChIKey is BTCKCTXUWCUFPZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14.3HI.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;;/h4-8H,1-3H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide?
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide has a molecular weight of 616.00 g/mol, XLogP of -5.87, 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(3+);triiodide is sourced from PubChem (CID 175881712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).