dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane

C12H14Cl2SiZr — CID 15776842

IUPACdichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESC[Si](C)([c-]1cccc1)[c-]1cccc1.Cl[Zr+2]Cl
InChIInChI=1S/C12H14Si.2ClH.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h3-10H,1-2H3;2*1H;/q-2;;;+4/p-2
InChIKeyBPBDABBQIOBAHM-UHFFFAOYSA-L
MW348.46 g/mol
LogP3.32
Rot. Bonds2

About dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane

dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 15776842) has the molecular formula C12H14Cl2SiZr and a molecular weight of 348.46 g/mol. Its IUPAC name is dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namedichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID15776842
Molecular FormulaC12H14Cl2SiZr
Molecular Weight348.46 g/mol
Exact Mass345.93
IUPAC Namedichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESC[Si](C)([c-]1cccc1)[c-]1cccc1.Cl[Zr+2]Cl
InChIInChI=1S/C12H14Si.2ClH.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h3-10H,1-2H3;2*1H;/q-2;;;+4/p-2
InChIKeyBPBDABBQIOBAHM-UHFFFAOYSA-L
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 15776842) is dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane is C[Si](C)([c-]1cccc1)[c-]1cccc1.Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is BPBDABBQIOBAHM-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H14Si.2ClH.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h3-10H,1-2H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane?
dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 348.46 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);di(cyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 15776842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).