2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide

C21H26I2Zr — CID 172692568

IUPAC2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
SMILESCCc1cc2ccccc2[cH-]1.Cc1c(C)c(C)[c-](C)c1C.[I-].[I-].[Zr+4]
InChIInChI=1S/C11H11.C10H15.2HI.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-6-7(2)9(4)10(5)8(6)3;;;/h3-8H,2H2,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUOBYMMFTCIGAKL-UHFFFAOYSA-L
MW623.47 g/mol
LogP0.07
Rot. Bonds1

About 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide

2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide (PubChem CID 172692568) has the molecular formula C21H26I2Zr and a molecular weight of 623.47 g/mol. Its IUPAC name is 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide.

Molecular Properties

Compound Name2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
PubChem CID172692568
Molecular FormulaC21H26I2Zr
Molecular Weight623.47 g/mol
Exact Mass621.92
IUPAC Name2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
SMILESCCc1cc2ccccc2[cH-]1.Cc1c(C)c(C)[c-](C)c1C.[I-].[I-].[Zr+4]
InChIInChI=1S/C11H11.C10H15.2HI.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-6-7(2)9(4)10(5)8(6)3;;;/h3-8H,2H2,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUOBYMMFTCIGAKL-UHFFFAOYSA-L
XLogP0.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.47
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide with MolForge

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Related Compounds

1,2,3,4,5-pentamethylcyclopenta-1,3-diene;2-propyl-1H-inden-1-ide;zirconium(4+);diiodide
CID 172803359
2-ethyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide
CID 159110970
2-butyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 172730599
2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172756825
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
CID 172721451
CID 172721451
carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
CID 173263826
CID 173161362
CID 173161362
CID 172728352
CID 172728352
CID 173162612
CID 173162612
2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 18369854

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The IUPAC name of 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide (CID 172692568) is 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide.
What is the SMILES notation for 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The canonical SMILES for 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide is CCc1cc2ccccc2[cH-]1.Cc1c(C)c(C)[c-](C)c1C.[I-].[I-].[Zr+4].
What is the InChIKey of 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The InChIKey is UOBYMMFTCIGAKL-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11.C10H15.2HI.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-6-7(2)9(4)10(5)8(6)3;;;/h3-8H,2H2,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide?
2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide has a molecular weight of 623.47 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide is sourced from PubChem (CID 172692568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).