carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium

C13H20SiZr-4 — CID 173079849

IUPACcarbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium
SMILESCC1=CC[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/C6H7.C5H5.2CH3.H2Si.Zr/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;;/h4-5H,2H2,1H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;
InChIKeyFSQMDRSNXYCQMY-UHFFFAOYSA-N
MW295.61 g/mol
LogP2.98
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium

carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium (PubChem CID 173079849) has the molecular formula C13H20SiZr-4 and a molecular weight of 295.61 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium
PubChem CID173079849
Molecular FormulaC13H20SiZr-4
Molecular Weight295.61 g/mol
Exact Mass294.04
IUPAC Namecarbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium
SMILESCC1=CC[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/C6H7.C5H5.2CH3.H2Si.Zr/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;;/h4-5H,2H2,1H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;
InChIKeyFSQMDRSNXYCQMY-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.61
LogP ≤ 52.98
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

2-tert-butylcyclopenta-1,3-diene;carbanide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173108972
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
CID 173008932
carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium
CID 173079956
carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium
CID 173079852
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium (CID 173079849) is carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium is CC1=CC[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium?
The InChIKey is FSQMDRSNXYCQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C5H5.2CH3.H2Si.Zr/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;;/h4-5H,2H2,1H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;.
What are the key properties of carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium?
carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium has a molecular weight of 295.61 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium is sourced from PubChem (CID 173079849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).