bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride

C26H50Cl2N2Si2Zr — CID 87831896

IUPACbis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride
SMILESCC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr+2]
InChIInChI=1S/2C13H24NSi.2ClH.Zr/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;;;/h2*7,9,11-12H,8H2,1-6H3;2*1H;/q2*-1;;;+2
InChIKeyZZAXRUKRVVNSDZ-UHFFFAOYSA-N
MW609.00 g/mol
LogP7.92
Rot. Bonds8

About bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride (PubChem CID 87831896) has the molecular formula C26H50Cl2N2Si2Zr and a molecular weight of 609.00 g/mol. Its IUPAC name is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride
PubChem CID87831896
Molecular FormulaC26H50Cl2N2Si2Zr
Molecular Weight609.00 g/mol
Exact Mass606.19
IUPAC Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride
SMILESCC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr+2]
InChIInChI=1S/2C13H24NSi.2ClH.Zr/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;;;/h2*7,9,11-12H,8H2,1-6H3;2*1H;/q2*-1;;;+2
InChIKeyZZAXRUKRVVNSDZ-UHFFFAOYSA-N
XLogP7.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.00
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride?
The IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride (CID 87831896) is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride.
What is the SMILES notation for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride?
The canonical SMILES for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride is CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr+2].
What is the InChIKey of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride?
The InChIKey is ZZAXRUKRVVNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24NSi.2ClH.Zr/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;;;/h2*7,9,11-12H,8H2,1-6H3;2*1H;/q2*-1;;;+2.
What are the key properties of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride?
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride has a molecular weight of 609.00 g/mol, XLogP of 7.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);zirconium(2+);dihydrochloride is sourced from PubChem (CID 87831896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).