2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride

C10H17Cl2Zr- — CID 174501530

IUPAC2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride
SMILESCCCC(C)C1=CC[C-]=C1.Cl.Cl.[Zr]
InChIInChI=1S/C10H15.2ClH.Zr/c1-3-6-9(2)10-7-4-5-8-10;;;/h7-9H,3-4,6H2,1-2H3;2*1H;/q-1;;;
InChIKeyUYENGQRXPCRTFT-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.95
Rot. Bonds3

About 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride

2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride (PubChem CID 174501530) has the molecular formula C10H17Cl2Zr- and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride.

Molecular Properties

Compound Name2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride
PubChem CID174501530
Molecular FormulaC10H17Cl2Zr-
Molecular Weight299.38 g/mol
Exact Mass296.98
IUPAC Name2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride
SMILESCCCC(C)C1=CC[C-]=C1.Cl.Cl.[Zr]
InChIInChI=1S/C10H15.2ClH.Zr/c1-3-6-9(2)10-7-4-5-8-10;;;/h7-9H,3-4,6H2,1-2H3;2*1H;/q-1;;;
InChIKeyUYENGQRXPCRTFT-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.95
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 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride?
The IUPAC name of 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride (CID 174501530) is 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride.
What is the SMILES notation for 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride?
The canonical SMILES for 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride is CCCC(C)C1=CC[C-]=C1.Cl.Cl.[Zr].
What is the InChIKey of 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride?
The InChIKey is UYENGQRXPCRTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2ClH.Zr/c1-3-6-9(2)10-7-4-5-8-10;;;/h7-9H,3-4,6H2,1-2H3;2*1H;/q-1;;;.
What are the key properties of 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride?
2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride has a molecular weight of 299.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride is sourced from PubChem (CID 174501530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).