tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)

C26H46HfZr+ — CID 23229553

IUPACtetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.[C-]#CC.[C-]#CC.[Hf].[Zr+3]
InChIInChI=1S/4C5H10.2C3H3.Hf.Zr/c4*1-2-4-5-3-1;2*1-3-2;;/h4*1-5H2;2*1H3;;/q;;;;2*-1;;+3
InChIKeyVTUJZPUNAFHIEA-UHFFFAOYSA-N
MW628.37 g/mol
LogP8.99
Rot. Bonds

About tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)

tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+) (PubChem CID 23229553) has the molecular formula C26H46HfZr+ and a molecular weight of 628.37 g/mol. Its IUPAC name is tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+).

Molecular Properties

Compound Nametetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)
PubChem CID23229553
Molecular FormulaC26H46HfZr+
Molecular Weight628.37 g/mol
Exact Mass628.21
IUPAC Nametetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.[C-]#CC.[C-]#CC.[Hf].[Zr+3]
InChIInChI=1S/4C5H10.2C3H3.Hf.Zr/c4*1-2-4-5-3-1;2*1-3-2;;/h4*1-5H2;2*1H3;;/q;;;;2*-1;;+3
InChIKeyVTUJZPUNAFHIEA-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.37
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)?
The IUPAC name of tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+) (CID 23229553) is tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+).
What is the SMILES notation for tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)?
The canonical SMILES for tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+) is C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.[C-]#CC.[C-]#CC.[Hf].[Zr+3].
What is the InChIKey of tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)?
The InChIKey is VTUJZPUNAFHIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H10.2C3H3.Hf.Zr/c4*1-2-4-5-3-1;2*1-3-2;;/h4*1-5H2;2*1H3;;/q;;;;2*-1;;+3.
What are the key properties of tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+)?
tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+) has a molecular weight of 628.37 g/mol, XLogP of 8.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclopentane);hafnium;bis(prop-1-yne);zirconium(3+) is sourced from PubChem (CID 23229553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).