2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride

C16H15Cl2Zr — CID 174379862

IUPAC2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCCc1c(C2=CC=CC2)[cH-]c2ccccc12.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C16H15.2ClH.Zr/c1-2-14-15-10-6-5-9-13(15)11-16(14)12-7-3-4-8-12;;;/h3-7,9-11H,2,8H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyPLPFZPUOZBVHPC-UHFFFAOYSA-L
MW369.43 g/mol
LogP-1.53
Rot. Bonds2

About 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride

2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride (PubChem CID 174379862) has the molecular formula C16H15Cl2Zr and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride
PubChem CID174379862
Molecular FormulaC16H15Cl2Zr
Molecular Weight369.43 g/mol
Exact Mass366.96
IUPAC Name2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCCc1c(C2=CC=CC2)[cH-]c2ccccc12.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C16H15.2ClH.Zr/c1-2-14-15-10-6-5-9-13(15)11-16(14)12-7-3-4-8-12;;;/h3-7,9-11H,2,8H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyPLPFZPUOZBVHPC-UHFFFAOYSA-L
XLogP-1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 5-1.53
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride (CID 174379862) is 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride is CCc1c(C2=CC=CC2)[cH-]c2ccccc12.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride?
The InChIKey is PLPFZPUOZBVHPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H15.2ClH.Zr/c1-2-14-15-10-6-5-9-13(15)11-16(14)12-7-3-4-8-12;;;/h3-7,9-11H,2,8H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride?
2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride has a molecular weight of 369.43 g/mol, XLogP of -1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-3-ethyl-1H-inden-1-ide;zirconium(3+);dichloride is sourced from PubChem (CID 174379862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).