cyclopenta-1,3-diene;zirconium(4+);tetrachloride

C5H5Cl4Zr- — CID 173166771

IUPACcyclopenta-1,3-diene;zirconium(4+);tetrachloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C5H5.4ClH.Zr/c1-2-4-5-3-1;;;;;/h1-3H,4H2;4*1H;/q-1;;;;;+4/p-4
InChIKeyXWDGFCNPIKPFCF-UHFFFAOYSA-J
MW298.13 g/mol
LogP-10.68
Rot. Bonds

About cyclopenta-1,3-diene;zirconium(4+);tetrachloride

cyclopenta-1,3-diene;zirconium(4+);tetrachloride (PubChem CID 173166771) has the molecular formula C5H5Cl4Zr- and a molecular weight of 298.13 g/mol. Its IUPAC name is cyclopenta-1,3-diene;zirconium(4+);tetrachloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;zirconium(4+);tetrachloride
PubChem CID173166771
Molecular FormulaC5H5Cl4Zr-
Molecular Weight298.13 g/mol
Exact Mass294.82
IUPAC Namecyclopenta-1,3-diene;zirconium(4+);tetrachloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C5H5.4ClH.Zr/c1-2-4-5-3-1;;;;;/h1-3H,4H2;4*1H;/q-1;;;;;+4/p-4
InChIKeyXWDGFCNPIKPFCF-UHFFFAOYSA-J
XLogP-10.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 5-10.68
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;zirconium(4+)
CID 22421333
hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
bis(cyclopenta-1,3-diene);zirconium(4+);difluoride
CID 23354655
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
cesium cyclopenta-1,3-diene
CID 18362255
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;zirconium(4+);tetrachloride?
The IUPAC name of cyclopenta-1,3-diene;zirconium(4+);tetrachloride (CID 173166771) is cyclopenta-1,3-diene;zirconium(4+);tetrachloride.
What is the SMILES notation for cyclopenta-1,3-diene;zirconium(4+);tetrachloride?
The canonical SMILES for cyclopenta-1,3-diene;zirconium(4+);tetrachloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].
What is the InChIKey of cyclopenta-1,3-diene;zirconium(4+);tetrachloride?
The InChIKey is XWDGFCNPIKPFCF-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H5.4ClH.Zr/c1-2-4-5-3-1;;;;;/h1-3H,4H2;4*1H;/q-1;;;;;+4/p-4.
What are the key properties of cyclopenta-1,3-diene;zirconium(4+);tetrachloride?
cyclopenta-1,3-diene;zirconium(4+);tetrachloride has a molecular weight of 298.13 g/mol, XLogP of -10.68, 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;zirconium(4+);tetrachloride is sourced from PubChem (CID 173166771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).