5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride

C23H30Cl2Zr — CID 172812906

IUPAC5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESCC[c-]1c(C)c(C)c(C)c1C.Cc1cc(C)c2cc(C)[cH-]c2c1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C12H13.C11H17.2ClH.Zr/c1-8-4-10(3)12-7-9(2)6-11(12)5-8;1-6-11-9(4)7(2)8(3)10(11)5;;;/h4-7H,1-3H3;6H2,1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQVBATCOWHKFZDL-UHFFFAOYSA-L
MW468.62 g/mol
LogP0.69
Rot. Bonds1

About 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride

5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 172812906) has the molecular formula C23H30Cl2Zr and a molecular weight of 468.62 g/mol. Its IUPAC name is 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Name5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride
PubChem CID172812906
Molecular FormulaC23H30Cl2Zr
Molecular Weight468.62 g/mol
Exact Mass466.08
IUPAC Name5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESCC[c-]1c(C)c(C)c(C)c1C.Cc1cc(C)c2cc(C)[cH-]c2c1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C12H13.C11H17.2ClH.Zr/c1-8-4-10(3)12-7-9(2)6-11(12)5-8;1-6-11-9(4)7(2)8(3)10(11)5;;;/h4-7H,1-3H3;6H2,1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQVBATCOWHKFZDL-UHFFFAOYSA-L
XLogP0.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(2,4,6-trimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 22463162
bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)
CID 142685568
CID 87401986
CID 87401986
2,6-dimethyl-4-propyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 172812508
5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-methyl-1H-cyclopenta[a]naphthalen-1-ide;zirconium(4+);dibromide
CID 172799094
2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
CID 174405016
difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-methyl-1H-cyclopenta[a]naphthalen-1-ide
CID 154603988
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)
CID 173326537
bis(6-bromo-2,4-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 159514263
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 633568
difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide
CID 154603989

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride (CID 172812906) is 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride is CC[c-]1c(C)c(C)c(C)c1C.Cc1cc(C)c2cc(C)[cH-]c2c1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is QVBATCOWHKFZDL-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.C11H17.2ClH.Zr/c1-8-4-10(3)12-7-9(2)6-11(12)5-8;1-6-11-9(4)7(2)8(3)10(11)5;;;/h4-7H,1-3H3;6H2,1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride?
5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 468.62 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,6-trimethyl-1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 172812906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).