bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride

C10H14Cl2SiZr — CID 173300775

IUPACbis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[SiH2]=[Zr+2]
InChIInChI=1S/2C5H5.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;;;;/h2*1-3H,4H2;2*1H;1H2;/q2*-1;;;;+2
InChIKeyQEMBPCWEKYAYIP-UHFFFAOYSA-N
MW324.44 g/mol
LogP2.54
Rot. Bonds

About bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride

bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride (PubChem CID 173300775) has the molecular formula C10H14Cl2SiZr and a molecular weight of 324.44 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride
PubChem CID173300775
Molecular FormulaC10H14Cl2SiZr
Molecular Weight324.44 g/mol
Exact Mass321.93
IUPAC Namebis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[SiH2]=[Zr+2]
InChIInChI=1S/2C5H5.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;;;;/h2*1-3H,4H2;2*1H;1H2;/q2*-1;;;;+2
InChIKeyQEMBPCWEKYAYIP-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.54
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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Related Compounds

bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
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bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014
cyclopenta-1,3-diene;niobium;tetrahydrochloride
CID 173012463
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
CID 173008932
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride?
The IUPAC name of bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride (CID 173300775) is bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride is Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[SiH2]=[Zr+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride?
The InChIKey is QEMBPCWEKYAYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;;;;/h2*1-3H,4H2;2*1H;1H2;/q2*-1;;;;+2.
What are the key properties of bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride?
bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride has a molecular weight of 324.44 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride is sourced from PubChem (CID 173300775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).