2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride

C12H13Cl2Zr — CID 174411637

IUPAC2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCCc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C12H13.2ClH.Zr/c1-3-10-7-11-6-4-5-9(2)12(11)8-10;;;/h4-8H,3H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyAUTXALWGGSWFBN-UHFFFAOYSA-L
MW319.37 g/mol
LogP-2.56
Rot. Bonds1

About 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride

2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride (PubChem CID 174411637) has the molecular formula C12H13Cl2Zr and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride
PubChem CID174411637
Molecular FormulaC12H13Cl2Zr
Molecular Weight319.37 g/mol
Exact Mass316.94
IUPAC Name2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCCc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C12H13.2ClH.Zr/c1-3-10-7-11-6-4-5-9(2)12(11)8-10;;;/h4-8H,3H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyAUTXALWGGSWFBN-UHFFFAOYSA-L
XLogP-2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-2.56
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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Related Compounds

CID 175828995
CID 175828995
2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
CID 159398719
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 173142082
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
dichlorozirconium;2,4-diethyl-1H-inden-1-ide
CID 173263602
bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride
CID 18008289
CID 87823696
CID 87823696
bis(2-ethyl-4-(4-methylphenyl)-1H-inden-1-ide);methylidenetitanium(2+)
CID 159250775
CID 173313790
CID 173313790
CID 173314100
CID 173314100

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride?
The IUPAC name of 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride (CID 174411637) is 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride.
What is the SMILES notation for 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride?
The canonical SMILES for 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride is CCc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride?
The InChIKey is AUTXALWGGSWFBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.2ClH.Zr/c1-3-10-7-11-6-4-5-9(2)12(11)8-10;;;/h4-8H,3H2,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride?
2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride has a molecular weight of 319.37 g/mol, XLogP of -2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride is sourced from PubChem (CID 174411637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).