carbanide;methanol;zirconium(2+);zirconium(3+);hydrate

C6H21O2Zr2 — CID 59288277

IUPACcarbanide;methanol;zirconium(2+);zirconium(3+);hydrate
SMILESCO.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+3]
InChIInChI=1S/CH4O.5CH3.H2O.2Zr/c1-2;;;;;;;;/h2H,1H3;5*1H3;1H2;;/q;5*-1;;+2;+3
InChIKeyUVAHGPKZWTZNBY-UHFFFAOYSA-N
MW307.68 g/mol
LogP1.03
Rot. Bonds

About carbanide;methanol;zirconium(2+);zirconium(3+);hydrate

carbanide;methanol;zirconium(2+);zirconium(3+);hydrate (PubChem CID 59288277) has the molecular formula C6H21O2Zr2 and a molecular weight of 307.68 g/mol. Its IUPAC name is carbanide;methanol;zirconium(2+);zirconium(3+);hydrate.

Molecular Properties

Compound Namecarbanide;methanol;zirconium(2+);zirconium(3+);hydrate
PubChem CID59288277
Molecular FormulaC6H21O2Zr2
Molecular Weight307.68 g/mol
Exact Mass304.96
IUPAC Namecarbanide;methanol;zirconium(2+);zirconium(3+);hydrate
SMILESCO.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+3]
InChIInChI=1S/CH4O.5CH3.H2O.2Zr/c1-2;;;;;;;;/h2H,1H3;5*1H3;1H2;;/q;5*-1;;+2;+3
InChIKeyUVAHGPKZWTZNBY-UHFFFAOYSA-N
XLogP1.03
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;methanol;zirconium(2+);zirconium(3+);hydrate?
The IUPAC name of carbanide;methanol;zirconium(2+);zirconium(3+);hydrate (CID 59288277) is carbanide;methanol;zirconium(2+);zirconium(3+);hydrate.
What is the SMILES notation for carbanide;methanol;zirconium(2+);zirconium(3+);hydrate?
The canonical SMILES for carbanide;methanol;zirconium(2+);zirconium(3+);hydrate is CO.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+3].
What is the InChIKey of carbanide;methanol;zirconium(2+);zirconium(3+);hydrate?
The InChIKey is UVAHGPKZWTZNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.5CH3.H2O.2Zr/c1-2;;;;;;;;/h2H,1H3;5*1H3;1H2;;/q;5*-1;;+2;+3.
What are the key properties of carbanide;methanol;zirconium(2+);zirconium(3+);hydrate?
carbanide;methanol;zirconium(2+);zirconium(3+);hydrate has a molecular weight of 307.68 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanol;zirconium(2+);zirconium(3+);hydrate is sourced from PubChem (CID 59288277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).