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

C10H12Br2Zr — CID 87133398

IUPACbis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide
SMILESBr.Br.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/2C5H5.2BrH.Zr/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyRESYXZMHULFEOL-UHFFFAOYSA-N
MW383.24 g/mol
LogP3.76
Rot. Bonds

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

bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide (PubChem CID 87133398) has the molecular formula C10H12Br2Zr and a molecular weight of 383.24 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide
PubChem CID87133398
Molecular FormulaC10H12Br2Zr
Molecular Weight383.24 g/mol
Exact Mass379.84
IUPAC Namebis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide
SMILESBr.Br.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/2C5H5.2BrH.Zr/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyRESYXZMHULFEOL-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide?
The IUPAC name of bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide (CID 87133398) is bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide.
What is the SMILES notation for bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide?
The canonical SMILES for bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide is Br.Br.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide?
The InChIKey is RESYXZMHULFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2BrH.Zr/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2.
What are the key properties of bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide?
bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide has a molecular weight of 383.24 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide is sourced from PubChem (CID 87133398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).