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

C9H14Zr — CID 154420530

IUPACcyclopenta-1,3-diene;2-methylpropane;zirconium(2+)
SMILESC[C-](C)C.[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H9.Zr/c1-2-4-5-3-1;1-4(2)3;/h1-5H;1-3H3;/q2*-1;+2
InChIKeyFVJFKUFKIMTTOE-UHFFFAOYSA-N
MW213.44 g/mol
LogP3.02
Rot. Bonds

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

cyclopenta-1,3-diene;2-methylpropane;zirconium(2+) (PubChem CID 154420530) has the molecular formula C9H14Zr and a molecular weight of 213.44 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-methylpropane;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-methylpropane;zirconium(2+)
PubChem CID154420530
Molecular FormulaC9H14Zr
Molecular Weight213.44 g/mol
Exact Mass212.01
IUPAC Namecyclopenta-1,3-diene;2-methylpropane;zirconium(2+)
SMILESC[C-](C)C.[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H9.Zr/c1-2-4-5-3-1;1-4(2)3;/h1-5H;1-3H3;/q2*-1;+2
InChIKeyFVJFKUFKIMTTOE-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.44
LogP ≤ 53.02
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 cyclopenta-1,3-diene;2-methylpropane;zirconium(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-methylpropane;zirconium(2+) (CID 154420530) is cyclopenta-1,3-diene;2-methylpropane;zirconium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-methylpropane;zirconium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-methylpropane;zirconium(2+) is C[C-](C)C.[Zr+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-methylpropane;zirconium(2+)?
The InChIKey is FVJFKUFKIMTTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H9.Zr/c1-2-4-5-3-1;1-4(2)3;/h1-5H;1-3H3;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-methylpropane;zirconium(2+)?
cyclopenta-1,3-diene;2-methylpropane;zirconium(2+) has a molecular weight of 213.44 g/mol, XLogP of 3.02, 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;2-methylpropane;zirconium(2+) is sourced from PubChem (CID 154420530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).