carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride

C16H28Cl2SiZr-4 — CID 173161612

IUPACcarbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[CH3-].[CH3-].[Cl-].[Cl-].[SiH4].[Zr+2]
InChIInChI=1S/2C7H9.2CH3.2ClH.H4Si.Zr/c2*1-6-4-3-5-7(6)2;;;;;;/h2*4H,3H2,1-2H3;2*1H3;2*1H;1H4;/q4*-1;;;;+2/p-2
InChIKeyCEDIJJGHPWCVHE-UHFFFAOYSA-L
MW410.62 g/mol
LogP-2.37
Rot. Bonds

About carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride

carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride (PubChem CID 173161612) has the molecular formula C16H28Cl2SiZr-4 and a molecular weight of 410.62 g/mol. Its IUPAC name is carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride.

Molecular Properties

Compound Namecarbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
PubChem CID173161612
Molecular FormulaC16H28Cl2SiZr-4
Molecular Weight410.62 g/mol
Exact Mass408.04
IUPAC Namecarbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[CH3-].[CH3-].[Cl-].[Cl-].[SiH4].[Zr+2]
InChIInChI=1S/2C7H9.2CH3.2ClH.H4Si.Zr/c2*1-6-4-3-5-7(6)2;;;;;;/h2*4H,3H2,1-2H3;2*1H3;2*1H;1H4;/q4*-1;;;;+2/p-2
InChIKeyCEDIJJGHPWCVHE-UHFFFAOYSA-L
XLogP-2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.62
LogP ≤ 5-2.37
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 carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride?
The IUPAC name of carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride (CID 173161612) is carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride.
What is the SMILES notation for carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride?
The canonical SMILES for carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride is CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[CH3-].[CH3-].[Cl-].[Cl-].[SiH4].[Zr+2].
What is the InChIKey of carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride?
The InChIKey is CEDIJJGHPWCVHE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H9.2CH3.2ClH.H4Si.Zr/c2*1-6-4-3-5-7(6)2;;;;;;/h2*4H,3H2,1-2H3;2*1H3;2*1H;1H4;/q4*-1;;;;+2/p-2.
What are the key properties of carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride?
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride has a molecular weight of 410.62 g/mol, XLogP of -2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride is sourced from PubChem (CID 173161612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).