tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)

C16H33N3Zr — CID 87214884

IUPACtris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/C10H15.3C2H6N.Zr/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*1-2H3;/q4*-1;+4
InChIKeySUMUMXZTJNCHNL-UHFFFAOYSA-N
MW358.69 g/mol
LogP4.97
Rot. Bonds

About tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)

tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+) (PubChem CID 87214884) has the molecular formula C16H33N3Zr and a molecular weight of 358.69 g/mol. Its IUPAC name is tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)
PubChem CID87214884
Molecular FormulaC16H33N3Zr
Molecular Weight358.69 g/mol
Exact Mass357.17
IUPAC Nametris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/C10H15.3C2H6N.Zr/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*1-2H3;/q4*-1;+4
InChIKeySUMUMXZTJNCHNL-UHFFFAOYSA-N
XLogP4.97
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 54.97
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 tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)?
The IUPAC name of tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+) (CID 87214884) is tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+).
What is the SMILES notation for tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)?
The canonical SMILES for tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+) is CC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.C[N-]C.C[N-]C.[Zr+4].
What is the InChIKey of tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)?
The InChIKey is SUMUMXZTJNCHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3C2H6N.Zr/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*1-2H3;/q4*-1;+4.
What are the key properties of tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+)?
tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+) has a molecular weight of 358.69 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+) is sourced from PubChem (CID 87214884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).