cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride

C15H16Cl2Zr — CID 87555526

IUPACcyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride
SMILESC[c-]1ccc2ccccc21.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C10H9.C5H5.2ClH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyUWBDWAXGWZHELU-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.01
Rot. Bonds

About cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride

cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride (PubChem CID 87555526) has the molecular formula C15H16Cl2Zr and a molecular weight of 358.42 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride
PubChem CID87555526
Molecular FormulaC15H16Cl2Zr
Molecular Weight358.42 g/mol
Exact Mass355.97
IUPAC Namecyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride
SMILESC[c-]1ccc2ccccc21.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C10H9.C5H5.2ClH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyUWBDWAXGWZHELU-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.01
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

cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride
CID 87203324
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CID 174807203
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CID 175318654
cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)
CID 173176184
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CID 22283832
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
CID 158996763
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CID 174656990
bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride?
The IUPAC name of cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride (CID 87555526) is cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride.
What is the SMILES notation for cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride?
The canonical SMILES for cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride is C[c-]1ccc2ccccc21.Cl.Cl.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride?
The InChIKey is UWBDWAXGWZHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.C5H5.2ClH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+2.
What are the key properties of cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride?
cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride has a molecular weight of 358.42 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride is sourced from PubChem (CID 87555526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).