dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)

C20H26Cl2Ru — CID 154130262

IUPACdichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)
SMILESCc1cc[c-]c(C(C)C)c1.Cc1cc[c-]c(C(C)C)c1.Cl[Ru+2]Cl
InChIInChI=1S/2C10H13.2ClH.Ru/c2*1-8(2)10-6-4-5-9(3)7-10;;;/h2*4-5,7-8H,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFYDKNLMKPCXUIJ-UHFFFAOYSA-L
MW438.40 g/mol
LogP7.21
Rot. Bonds2

About dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)

dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide) (PubChem CID 154130262) has the molecular formula C20H26Cl2Ru and a molecular weight of 438.40 g/mol. Its IUPAC name is dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide).

Molecular Properties

Compound Namedichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)
PubChem CID154130262
Molecular FormulaC20H26Cl2Ru
Molecular Weight438.40 g/mol
Exact Mass438.05
IUPAC Namedichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)
SMILESCc1cc[c-]c(C(C)C)c1.Cc1cc[c-]c(C(C)C)c1.Cl[Ru+2]Cl
InChIInChI=1S/2C10H13.2ClH.Ru/c2*1-8(2)10-6-4-5-9(3)7-10;;;/h2*4-5,7-8H,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFYDKNLMKPCXUIJ-UHFFFAOYSA-L
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.40
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)?
The IUPAC name of dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide) (CID 154130262) is dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide).
What is the SMILES notation for dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)?
The canonical SMILES for dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide) is Cc1cc[c-]c(C(C)C)c1.Cc1cc[c-]c(C(C)C)c1.Cl[Ru+2]Cl.
What is the InChIKey of dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)?
The InChIKey is FYDKNLMKPCXUIJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H13.2ClH.Ru/c2*1-8(2)10-6-4-5-9(3)7-10;;;/h2*4-5,7-8H,1-3H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide)?
dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide) has a molecular weight of 438.40 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium(2+);bis(1-methyl-3-propan-2-ylbenzene-4-ide) is sourced from PubChem (CID 154130262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).