carbanide;penta-1,3-diene;zirconium(4+)

C8H16Zr — CID 140974875

IUPACcarbanide;penta-1,3-diene;zirconium(4+)
SMILES[CH3-].[CH3-].[CH3-].[H]/[C-]=C\C=CC.[Zr+4]
InChIInChI=1S/C5H7.3CH3.Zr/c1-3-5-4-2;;;;/h1,3-5H,2H3;3*1H3;/q4*-1;+4
InChIKeyALOIQIVYBSMWGN-UHFFFAOYSA-N
MW203.44 g/mol
LogP2.90
Rot. Bonds1

About carbanide;penta-1,3-diene;zirconium(4+)

carbanide;penta-1,3-diene;zirconium(4+) (PubChem CID 140974875) has the molecular formula C8H16Zr and a molecular weight of 203.44 g/mol. Its IUPAC name is carbanide;penta-1,3-diene;zirconium(4+).

Molecular Properties

Compound Namecarbanide;penta-1,3-diene;zirconium(4+)
PubChem CID140974875
Molecular FormulaC8H16Zr
Molecular Weight203.44 g/mol
Exact Mass202.03
IUPAC Namecarbanide;penta-1,3-diene;zirconium(4+)
SMILES[CH3-].[CH3-].[CH3-].[H]/[C-]=C\C=CC.[Zr+4]
InChIInChI=1S/C5H7.3CH3.Zr/c1-3-5-4-2;;;;/h1,3-5H,2H3;3*1H3;/q4*-1;+4
InChIKeyALOIQIVYBSMWGN-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbanide;penta-1,3-diene;zirconium(4+)?
The IUPAC name of carbanide;penta-1,3-diene;zirconium(4+) (CID 140974875) is carbanide;penta-1,3-diene;zirconium(4+).
What is the SMILES notation for carbanide;penta-1,3-diene;zirconium(4+)?
The canonical SMILES for carbanide;penta-1,3-diene;zirconium(4+) is [CH3-].[CH3-].[CH3-].[H]/[C-]=C\C=CC.[Zr+4].
What is the InChIKey of carbanide;penta-1,3-diene;zirconium(4+)?
The InChIKey is ALOIQIVYBSMWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.3CH3.Zr/c1-3-5-4-2;;;;/h1,3-5H,2H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;penta-1,3-diene;zirconium(4+)?
carbanide;penta-1,3-diene;zirconium(4+) has a molecular weight of 203.44 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;penta-1,3-diene;zirconium(4+) is sourced from PubChem (CID 140974875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).