carbanide;ethane;zirconium(4+)

C5H14Zr — CID 20781290

IUPACcarbanide;ethane;zirconium(4+)
SMILES[CH2-]C.[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C2H5.3CH3.Zr/c1-2;;;;/h1H2,2H3;3*1H3;/q4*-1;+4
InChIKeyUAXAPSFGQMWQEN-UHFFFAOYSA-N
MW165.39 g/mol
LogP2.19
Rot. Bonds

About carbanide;ethane;zirconium(4+)

carbanide;ethane;zirconium(4+) (PubChem CID 20781290) has the molecular formula C5H14Zr and a molecular weight of 165.39 g/mol. Its IUPAC name is carbanide;ethane;zirconium(4+).

Molecular Properties

Compound Namecarbanide;ethane;zirconium(4+)
PubChem CID20781290
Molecular FormulaC5H14Zr
Molecular Weight165.39 g/mol
Exact Mass164.01
IUPAC Namecarbanide;ethane;zirconium(4+)
SMILES[CH2-]C.[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C2H5.3CH3.Zr/c1-2;;;;/h1H2,2H3;3*1H3;/q4*-1;+4
InChIKeyUAXAPSFGQMWQEN-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.39
LogP ≤ 52.19
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 carbanide;ethane;zirconium(4+)?
The IUPAC name of carbanide;ethane;zirconium(4+) (CID 20781290) is carbanide;ethane;zirconium(4+).
What is the SMILES notation for carbanide;ethane;zirconium(4+)?
The canonical SMILES for carbanide;ethane;zirconium(4+) is [CH2-]C.[CH3-].[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;ethane;zirconium(4+)?
The InChIKey is UAXAPSFGQMWQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5.3CH3.Zr/c1-2;;;;/h1H2,2H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;ethane;zirconium(4+)?
carbanide;ethane;zirconium(4+) has a molecular weight of 165.39 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;zirconium(4+) is sourced from PubChem (CID 20781290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).