bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium

C12H14Cl2SiZr — CID 87936502

IUPACbis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium
SMILESC[Si](C)(C1=C(Cl)CC=C1)C1=C(Cl)CC=C1.[Zr]
InChIInChI=1S/C12H14Cl2Si.Zr/c1-15(2,11-7-3-5-9(11)13)12-8-4-6-10(12)14;/h3-4,7-8H,5-6H2,1-2H3;
InChIKeyLNHNAPPXTPQDBJ-UHFFFAOYSA-N
MW348.46 g/mol
LogP4.68
Rot. Bonds2

About bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium

bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium (PubChem CID 87936502) has the molecular formula C12H14Cl2SiZr and a molecular weight of 348.46 g/mol. Its IUPAC name is bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium.

Molecular Properties

Compound Namebis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium
PubChem CID87936502
Molecular FormulaC12H14Cl2SiZr
Molecular Weight348.46 g/mol
Exact Mass345.93
IUPAC Namebis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium
SMILESC[Si](C)(C1=C(Cl)CC=C1)C1=C(Cl)CC=C1.[Zr]
InChIInChI=1S/C12H14Cl2Si.Zr/c1-15(2,11-7-3-5-9(11)13)12-8-4-6-10(12)14;/h3-4,7-8H,5-6H2,1-2H3;
InChIKeyLNHNAPPXTPQDBJ-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium?
The IUPAC name of bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium (CID 87936502) is bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium.
What is the SMILES notation for bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium?
The canonical SMILES for bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium is C[Si](C)(C1=C(Cl)CC=C1)C1=C(Cl)CC=C1.[Zr].
What is the InChIKey of bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium?
The InChIKey is LNHNAPPXTPQDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2Si.Zr/c1-15(2,11-7-3-5-9(11)13)12-8-4-6-10(12)14;/h3-4,7-8H,5-6H2,1-2H3;.
What are the key properties of bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium?
bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium has a molecular weight of 348.46 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorocyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium is sourced from PubChem (CID 87936502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).