cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)

C26H55N3SiZr — CID 150260726

IUPACcyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)
SMILESCCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.C[Si](C)(C)[c-]1cccc1.[Zr+4]
InChIInChI=1S/C8H13Si.3C6H14N.Zr/c1-9(2,3)8-6-4-5-7-8;3*1-3-5-7-6-4-2;/h4-7H,1-3H3;3*3-6H2,1-2H3;/q4*-1;+4
InChIKeyGBMMZOFOIHAOJE-UHFFFAOYSA-N
MW529.06 g/mol
LogP8.49
Rot. Bonds13

About cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)

cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+) (PubChem CID 150260726) has the molecular formula C26H55N3SiZr and a molecular weight of 529.06 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)
PubChem CID150260726
Molecular FormulaC26H55N3SiZr
Molecular Weight529.06 g/mol
Exact Mass527.32
IUPAC Namecyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)
SMILESCCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.C[Si](C)(C)[c-]1cccc1.[Zr+4]
InChIInChI=1S/C8H13Si.3C6H14N.Zr/c1-9(2,3)8-6-4-5-7-8;3*1-3-5-7-6-4-2;/h4-7H,1-3H3;3*3-6H2,1-2H3;/q4*-1;+4
InChIKeyGBMMZOFOIHAOJE-UHFFFAOYSA-N
XLogP8.49
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.06
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+) (CID 150260726) is cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+) is CCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.C[Si](C)(C)[c-]1cccc1.[Zr+4].
What is the InChIKey of cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)?
The InChIKey is GBMMZOFOIHAOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Si.3C6H14N.Zr/c1-9(2,3)8-6-4-5-7-8;3*1-3-5-7-6-4-2;/h4-7H,1-3H3;3*3-6H2,1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)?
cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+) has a molecular weight of 529.06 g/mol, XLogP of 8.49, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+) is sourced from PubChem (CID 150260726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).