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

C28H54N2O2Si2Zr — CID 87832149

IUPACbis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+)
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.C[O-].C[O-].[Zr+4]
InChIInChI=1S/2C13H24NSi.2CH3O.Zr/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;2*1-2;/h2*7,9,11-12H,8H2,1-6H3;2*1H3;/q4*-1;+4
InChIKeyDHTAMNDFUKZVTC-UHFFFAOYSA-N
MW598.15 g/mol
LogP5.03
Rot. Bonds8

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

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+) (PubChem CID 87832149) has the molecular formula C28H54N2O2Si2Zr and a molecular weight of 598.15 g/mol. Its IUPAC name is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+).

Molecular Properties

Compound Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+)
PubChem CID87832149
Molecular FormulaC28H54N2O2Si2Zr
Molecular Weight598.15 g/mol
Exact Mass596.28
IUPAC Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+)
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.C[O-].C[O-].[Zr+4]
InChIInChI=1S/2C13H24NSi.2CH3O.Zr/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;2*1-2;/h2*7,9,11-12H,8H2,1-6H3;2*1H3;/q4*-1;+4
InChIKeyDHTAMNDFUKZVTC-UHFFFAOYSA-N
XLogP5.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.15
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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);methanolate;zirconium(4+)?
The IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+) (CID 87832149) is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+).
What is the SMILES notation for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+)?
The canonical SMILES for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+) 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.C[O-].C[O-].[Zr+4].
What is the InChIKey of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+)?
The InChIKey is DHTAMNDFUKZVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24NSi.2CH3O.Zr/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;2*1-2;/h2*7,9,11-12H,8H2,1-6H3;2*1H3;/q4*-1;+4.
What are the key properties of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+)?
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);methanolate;zirconium(4+) has a molecular weight of 598.15 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 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);methanolate;zirconium(4+) is sourced from PubChem (CID 87832149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).