benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride

C18H30Cl2NOSiZr-3 — CID 173229630

IUPACbenzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.NC(=O)c1ccccc1.[CH3-].[CH3-].[Cl-].[Cl-].[SiH4].[Zr+2]
InChIInChI=1S/C9H13.C7H7NO.2CH3.2ClH.H4Si.Zr/c1-6-5-7(2)9(4)8(6)3;8-7(9)6-4-2-1-3-5-6;;;;;;/h6H,1-4H3;1-5H,(H2,8,9);2*1H3;2*1H;1H4;/q-1;;2*-1;;;;+2/p-2
InChIKeySSQLQXHCIKWZAA-UHFFFAOYSA-L
MW466.66 g/mol
LogP-3.04
Rot. Bonds1

About benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride

benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride (PubChem CID 173229630) has the molecular formula C18H30Cl2NOSiZr-3 and a molecular weight of 466.66 g/mol. Its IUPAC name is benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride.

Molecular Properties

Compound Namebenzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride
PubChem CID173229630
Molecular FormulaC18H30Cl2NOSiZr-3
Molecular Weight466.66 g/mol
Exact Mass464.05
IUPAC Namebenzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.NC(=O)c1ccccc1.[CH3-].[CH3-].[Cl-].[Cl-].[SiH4].[Zr+2]
InChIInChI=1S/C9H13.C7H7NO.2CH3.2ClH.H4Si.Zr/c1-6-5-7(2)9(4)8(6)3;8-7(9)6-4-2-1-3-5-6;;;;;;/h6H,1-4H3;1-5H,(H2,8,9);2*1H3;2*1H;1H4;/q-1;;2*-1;;;;+2/p-2
InChIKeySSQLQXHCIKWZAA-UHFFFAOYSA-L
XLogP-3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.66
LogP ≤ 5-3.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The IUPAC name of benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride (CID 173229630) is benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride.
What is the SMILES notation for benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The canonical SMILES for benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride is CC1=[C-]C(C)C(C)=C1C.NC(=O)c1ccccc1.[CH3-].[CH3-].[Cl-].[Cl-].[SiH4].[Zr+2].
What is the InChIKey of benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The InChIKey is SSQLQXHCIKWZAA-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C7H7NO.2CH3.2ClH.H4Si.Zr/c1-6-5-7(2)9(4)8(6)3;8-7(9)6-4-2-1-3-5-6;;;;;;/h6H,1-4H3;1-5H,(H2,8,9);2*1H3;2*1H;1H4;/q-1;;2*-1;;;;+2/p-2.
What are the key properties of benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride?
benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride has a molecular weight of 466.66 g/mol, XLogP of -3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;carbanide;silane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride is sourced from PubChem (CID 173229630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).