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

C20H24I2Zr — CID 172756825

IUPAC2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1cc2ccccc2[cH-]1.[I-].[I-].[Zr+4]
InChIInChI=1S/C10H9.C10H15.2HI.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-6-7(2)9(4)10(5)8(6)3;;;/h2-7H,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyOPYWBDJDKPZFBT-UHFFFAOYSA-L
MW609.44 g/mol
LogP-0.18
Rot. Bonds

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

2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide (PubChem CID 172756825) has the molecular formula C20H24I2Zr and a molecular weight of 609.44 g/mol. Its IUPAC name is 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide.

Molecular Properties

Compound Name2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
PubChem CID172756825
Molecular FormulaC20H24I2Zr
Molecular Weight609.44 g/mol
Exact Mass607.90
IUPAC Name2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1cc2ccccc2[cH-]1.[I-].[I-].[Zr+4]
InChIInChI=1S/C10H9.C10H15.2HI.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-6-7(2)9(4)10(5)8(6)3;;;/h2-7H,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyOPYWBDJDKPZFBT-UHFFFAOYSA-L
XLogP-0.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.44
LogP ≤ 5-0.18
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-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The IUPAC name of 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide (CID 172756825) is 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide.
What is the SMILES notation for 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The canonical SMILES for 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide is Cc1c(C)c(C)[c-](C)c1C.Cc1cc2ccccc2[cH-]1.[I-].[I-].[Zr+4].
What is the InChIKey of 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The InChIKey is OPYWBDJDKPZFBT-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C10H15.2HI.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-6-7(2)9(4)10(5)8(6)3;;;/h2-7H,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide?
2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide has a molecular weight of 609.44 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide is sourced from PubChem (CID 172756825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).