bis(2-methanidylpropane);zirconium(2+);dihydrate

C8H22O2Zr — CID 164789346

IUPACbis(2-methanidylpropane);zirconium(2+);dihydrate
SMILESO.O.[CH2-]C(C)C.[CH2-]C(C)C.[Zr+2]
InChIInChI=1S/2C4H9.2H2O.Zr/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;2*1H2;/q2*-1;;;+2
InChIKeyQJZZUKIHGAGNGW-UHFFFAOYSA-N
MW241.49 g/mol
LogP1.30
Rot. Bonds

About bis(2-methanidylpropane);zirconium(2+);dihydrate

bis(2-methanidylpropane);zirconium(2+);dihydrate (PubChem CID 164789346) has the molecular formula C8H22O2Zr and a molecular weight of 241.49 g/mol. Its IUPAC name is bis(2-methanidylpropane);zirconium(2+);dihydrate.

Molecular Properties

Compound Namebis(2-methanidylpropane);zirconium(2+);dihydrate
PubChem CID164789346
Molecular FormulaC8H22O2Zr
Molecular Weight241.49 g/mol
Exact Mass240.07
IUPAC Namebis(2-methanidylpropane);zirconium(2+);dihydrate
SMILESO.O.[CH2-]C(C)C.[CH2-]C(C)C.[Zr+2]
InChIInChI=1S/2C4H9.2H2O.Zr/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;2*1H2;/q2*-1;;;+2
InChIKeyQJZZUKIHGAGNGW-UHFFFAOYSA-N
XLogP1.30
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.49
LogP ≤ 51.30
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

2-methanidylpropane;decakis(yttrium)
CID 167360236
ethane;2-methanidylpropane;tungsten(2+)
CID 20607309
2-methanidylpropane;zirconium;trihydrochloride
CID 175005550
bis(2-methanidylpropane);titanium(2+);dihydrobromide
CID 175007215
zinc;2-methanidylpropane;bromide
CID 24942246
carbanide;2-methanidylpropane;bis(yttrium)
CID 161365817
2-methanidylpropane;titanium(4+);trichloride
CID 174197579
sodium;2-methanidylpropane;hydroxide
CID 58205934
aluminum;bis(2-methanidylpropane);bromide
CID 11287466
ethane;methane;2-methanidylpropane;yttrium
CID 159674866
carbanide;2-methanidylpropane;tungsten;uranium
CID 158124011
azanide;2-methanidylpropane;titanium(4+);dichloride
CID 174308644

Frequently Asked Questions

What is the IUPAC name of bis(2-methanidylpropane);zirconium(2+);dihydrate?
The IUPAC name of bis(2-methanidylpropane);zirconium(2+);dihydrate (CID 164789346) is bis(2-methanidylpropane);zirconium(2+);dihydrate.
What is the SMILES notation for bis(2-methanidylpropane);zirconium(2+);dihydrate?
The canonical SMILES for bis(2-methanidylpropane);zirconium(2+);dihydrate is O.O.[CH2-]C(C)C.[CH2-]C(C)C.[Zr+2].
What is the InChIKey of bis(2-methanidylpropane);zirconium(2+);dihydrate?
The InChIKey is QJZZUKIHGAGNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.2H2O.Zr/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;2*1H2;/q2*-1;;;+2.
What are the key properties of bis(2-methanidylpropane);zirconium(2+);dihydrate?
bis(2-methanidylpropane);zirconium(2+);dihydrate has a molecular weight of 241.49 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methanidylpropane);zirconium(2+);dihydrate is sourced from PubChem (CID 164789346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).