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

C11H17Cl2SiZr-3 — CID 173008932

IUPACcarbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C5H5.CH3.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;;;;;/h2*1-3H,4H2;1H3;2*1H;1H2;/q3*-1;;;;
InChIKeyREPOTUPKMRTZJO-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.99
Rot. Bonds

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

carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride (PubChem CID 173008932) has the molecular formula C11H17Cl2SiZr-3 and a molecular weight of 339.47 g/mol. Its IUPAC name is carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
PubChem CID173008932
Molecular FormulaC11H17Cl2SiZr-3
Molecular Weight339.47 g/mol
Exact Mass336.95
IUPAC Namecarbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C5H5.CH3.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;;;;;/h2*1-3H,4H2;1H3;2*1H;1H2;/q3*-1;;;;
InChIKeyREPOTUPKMRTZJO-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.99
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

carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
carbanide;bis(cyclopenta-1,3-diene);prop-1-ene;silylidenezirconium;dihydrochloride
CID 173008601
bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride
CID 173300775
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
cyclopenta-1,3-diene;niobium;tetrahydrochloride
CID 173012463

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride?
The IUPAC name of carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride (CID 173008932) is carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride.
What is the SMILES notation for carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride?
The canonical SMILES for carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride is Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[SiH2]=[Zr].
What is the InChIKey of carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride?
The InChIKey is REPOTUPKMRTZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.CH3.2ClH.H2Si.Zr/c2*1-2-4-5-3-1;;;;;/h2*1-3H,4H2;1H3;2*1H;1H2;/q3*-1;;;;.
What are the key properties of carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride?
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride has a molecular weight of 339.47 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173008932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).