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

C16H16Zr — CID 173176184

IUPACcyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)
SMILESCc1c[c-](C)c2ccccc12.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C11H11.C5H5.Zr/c1-8-7-9(2)11-6-4-3-5-10(8)11;1-2-4-5-3-1;/h3-7H,1-2H3;1-3H,4H2;/q2*-1;+2
InChIKeyYVPNPENVWJKHPD-UHFFFAOYSA-N
MW299.53 g/mol
LogP4.48
Rot. Bonds

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

cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+) (PubChem CID 173176184) has the molecular formula C16H16Zr and a molecular weight of 299.53 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)
PubChem CID173176184
Molecular FormulaC16H16Zr
Molecular Weight299.53 g/mol
Exact Mass298.03
IUPAC Namecyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)
SMILESCc1c[c-](C)c2ccccc12.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C11H11.C5H5.Zr/c1-8-7-9(2)11-6-4-3-5-10(8)11;1-2-4-5-3-1;/h3-7H,1-2H3;1-3H,4H2;/q2*-1;+2
InChIKeyYVPNPENVWJKHPD-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 54.48
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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CID 87203324
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CID 87555526
CID 173020150
CID 173020150
cyclopenta-1,3-diene;1,5-dimethylinden-1-ide;zirconium(2+)
CID 174054858
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1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
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CID 174807203
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CID 22283832
cyclopenta-1,3-diene;iron(2+);2-methylphenolate
CID 174698889
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CID 86749727
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CID 87844517

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)?
The IUPAC name of cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+) (CID 173176184) is cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+) is Cc1c[c-](C)c2ccccc12.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)?
The InChIKey is YVPNPENVWJKHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.C5H5.Zr/c1-8-7-9(2)11-6-4-3-5-10(8)11;1-2-4-5-3-1;/h3-7H,1-2H3;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)?
cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+) has a molecular weight of 299.53 g/mol, XLogP of 4.48, 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;1,3-dimethylinden-1-ide;zirconium(2+) is sourced from PubChem (CID 173176184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).