2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide

C24H32I2Zr — CID 172831665

IUPAC2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide
SMILESCC(C)c1cc2ccccc2[cH-]1.CCCc1c(C)c(C)c(C)[c-]1C.[I-].[I-].[Zr+4]
InChIInChI=1S/C12H13.C12H19.2HI.Zr/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6-7-12-10(4)8(2)9(3)11(12)5;;;/h3-9H,1-2H3;6-7H2,1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHGTFTNYRJUAZON-UHFFFAOYSA-L
MW665.55 g/mol
LogP1.28
Rot. Bonds3

About 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide

2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide (PubChem CID 172831665) has the molecular formula C24H32I2Zr and a molecular weight of 665.55 g/mol. Its IUPAC name is 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide.

Molecular Properties

Compound Name2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide
PubChem CID172831665
Molecular FormulaC24H32I2Zr
Molecular Weight665.55 g/mol
Exact Mass663.96
IUPAC Name2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide
SMILESCC(C)c1cc2ccccc2[cH-]1.CCCc1c(C)c(C)c(C)[c-]1C.[I-].[I-].[Zr+4]
InChIInChI=1S/C12H13.C12H19.2HI.Zr/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6-7-12-10(4)8(2)9(3)11(12)5;;;/h3-9H,1-2H3;6-7H2,1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHGTFTNYRJUAZON-UHFFFAOYSA-L
XLogP1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.55
LogP ≤ 51.28
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-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-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

Related Compounds

2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide
CID 172860989
2-ethyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide
CID 159110970
2-phenyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 158087222
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;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172692568
hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride
CID 161453057
2-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
CID 87958358
2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172756825
2-butyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 172730599
CID 151781953
CID 151781953
dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride
CID 172777953
bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride
CID 21261068

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The IUPAC name of 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide (CID 172831665) is 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide.
What is the SMILES notation for 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The canonical SMILES for 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide is CC(C)c1cc2ccccc2[cH-]1.CCCc1c(C)c(C)c(C)[c-]1C.[I-].[I-].[Zr+4].
What is the InChIKey of 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide?
The InChIKey is HGTFTNYRJUAZON-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.C12H19.2HI.Zr/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6-7-12-10(4)8(2)9(3)11(12)5;;;/h3-9H,1-2H3;6-7H2,1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide?
2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide has a molecular weight of 665.55 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide is sourced from PubChem (CID 172831665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).