2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride

C16H16Cl2Zr — CID 159770687

IUPAC2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride
SMILESCCc1cc[cH-]c1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C7H9.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-5-3-4-6-7;;;/h1-7H;3-6H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeySAKCHRJYVBUIHD-UHFFFAOYSA-L
MW370.43 g/mol
LogP-1.47
Rot. Bonds1

About 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride

2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 159770687) has the molecular formula C16H16Cl2Zr and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Name2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride
PubChem CID159770687
Molecular FormulaC16H16Cl2Zr
Molecular Weight370.43 g/mol
Exact Mass367.97
IUPAC Name2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride
SMILESCCc1cc[cH-]c1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C7H9.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-5-3-4-6-7;;;/h1-7H;3-6H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeySAKCHRJYVBUIHD-UHFFFAOYSA-L
XLogP-1.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 18369854
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
carbanide;1H-inden-1-ide;titanium(3+);trichloride
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CID 173020182

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride (CID 159770687) is 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride is CCc1cc[cH-]c1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is SAKCHRJYVBUIHD-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C7H9.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-5-3-4-6-7;;;/h1-7H;3-6H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride?
2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 370.43 g/mol, XLogP of -1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 159770687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).