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

C11H10Zr — CID 174248756

IUPACbenzene;cyclopenta-1,3-diene;zirconium(2+)
SMILES[C-]1=CC=CC1.[Zr+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H5.Zr/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-5H;1-3H,4H2;/q2*-1;+2
InChIKeyHOUCGESDLPZSIN-UHFFFAOYSA-N
MW233.43 g/mol
LogP2.79
Rot. Bonds

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

benzene;cyclopenta-1,3-diene;zirconium(2+) (PubChem CID 174248756) has the molecular formula C11H10Zr and a molecular weight of 233.43 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;zirconium(2+).

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;zirconium(2+)
PubChem CID174248756
Molecular FormulaC11H10Zr
Molecular Weight233.43 g/mol
Exact Mass231.98
IUPAC Namebenzene;cyclopenta-1,3-diene;zirconium(2+)
SMILES[C-]1=CC=CC1.[Zr+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H5.Zr/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-5H;1-3H,4H2;/q2*-1;+2
InChIKeyHOUCGESDLPZSIN-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.43
LogP ≤ 52.79
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 173200897
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benzene;cyclopenta-1,3-diene;manganese
CID 67644722
benzene;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 174656990
bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide
CID 87133398
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
benzene;cyclopenta-1,3-diene;pentane;vanadium
CID 173225730
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
cesium cyclopenta-1,3-diene
CID 18362255

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;zirconium(2+)?
The IUPAC name of benzene;cyclopenta-1,3-diene;zirconium(2+) (CID 174248756) is benzene;cyclopenta-1,3-diene;zirconium(2+).
What is the SMILES notation for benzene;cyclopenta-1,3-diene;zirconium(2+)?
The canonical SMILES for benzene;cyclopenta-1,3-diene;zirconium(2+) is [C-]1=CC=CC1.[Zr+2].[c-]1ccccc1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;zirconium(2+)?
The InChIKey is HOUCGESDLPZSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H5.Zr/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-5H;1-3H,4H2;/q2*-1;+2.
What are the key properties of benzene;cyclopenta-1,3-diene;zirconium(2+)?
benzene;cyclopenta-1,3-diene;zirconium(2+) has a molecular weight of 233.43 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;zirconium(2+) is sourced from PubChem (CID 174248756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).