1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)

C20H24Zr — CID 151787229

IUPAC1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)
SMILESCC(C)=[Zr+2].CC(C)c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C8H11.C3H6.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7(2)8-5-3-4-6-8;1-3-2;/h1-7H;3-7H,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyKSQGAPYCYVNLGZ-UHFFFAOYSA-N
MW355.64 g/mol
LogP5.83
Rot. Bonds1

About 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)

1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+) (PubChem CID 151787229) has the molecular formula C20H24Zr and a molecular weight of 355.64 g/mol. Its IUPAC name is 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+).

Molecular Properties

Compound Name1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)
PubChem CID151787229
Molecular FormulaC20H24Zr
Molecular Weight355.64 g/mol
Exact Mass354.09
IUPAC Name1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)
SMILESCC(C)=[Zr+2].CC(C)c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C8H11.C3H6.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7(2)8-5-3-4-6-8;1-3-2;/h1-7H;3-7H,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyKSQGAPYCYVNLGZ-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.64
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+) with MolForge

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Related Compounds

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CID 15397844
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
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Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)?
The IUPAC name of 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+) (CID 151787229) is 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+).
What is the SMILES notation for 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)?
The canonical SMILES for 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+) is CC(C)=[Zr+2].CC(C)c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)?
The InChIKey is KSQGAPYCYVNLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C8H11.C3H6.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7(2)8-5-3-4-6-8;1-3-2;/h1-7H;3-7H,1-2H3;1-2H3;/q2*-1;;+2.
What are the key properties of 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)?
1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+) has a molecular weight of 355.64 g/mol, XLogP of 5.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+) is sourced from PubChem (CID 151787229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).