dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium

C11H14Cl2Ru — CID 162017380

IUPACdichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium
SMILESCc1ccc(C(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C11H14.2ClH.Ru/c1-8(2)11-6-5-9(3)7-10(11)4;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyWAXTUFJIRYHVLS-UHFFFAOYSA-L
MW318.21 g/mol
LogP4.19
Rot. Bonds2

About dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium

dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium (PubChem CID 162017380) has the molecular formula C11H14Cl2Ru and a molecular weight of 318.21 g/mol. Its IUPAC name is dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium
PubChem CID162017380
Molecular FormulaC11H14Cl2Ru
Molecular Weight318.21 g/mol
Exact Mass317.95
IUPAC Namedichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium
SMILESCc1ccc(C(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C11H14.2ClH.Ru/c1-8(2)11-6-5-9(3)7-10(11)4;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyWAXTUFJIRYHVLS-UHFFFAOYSA-L
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium?
The IUPAC name of dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium (CID 162017380) is dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium.
What is the SMILES notation for dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium?
The canonical SMILES for dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium is Cc1ccc(C(C)C)c(C=[Ru](Cl)Cl)c1.
What is the InChIKey of dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium?
The InChIKey is WAXTUFJIRYHVLS-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H14.2ClH.Ru/c1-8(2)11-6-5-9(3)7-10(11)4;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium?
dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium has a molecular weight of 318.21 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium is sourced from PubChem (CID 162017380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).