bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride

C22H42ClSi2Zr-7 — CID 161149505

IUPACbis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride
SMILESCCCCc1cc[cH-]c1.CCCCc1cc[cH-]c1.[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[SiH2]=[Zr]=[SiH2]
InChIInChI=1S/2C9H13.4CH3.ClH.2H2Si.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;;;;;;/h2*4-5,7-8H,2-3,6H2,1H3;4*1H3;1H;2*1H2;/q6*-1;;;;/p-1
InChIKeyXMUODVJNGFXQJX-UHFFFAOYSA-M
MW489.43 g/mol
LogP2.47
Rot. Bonds6

About bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride

bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride (PubChem CID 161149505) has the molecular formula C22H42ClSi2Zr-7 and a molecular weight of 489.43 g/mol. Its IUPAC name is bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride.

Molecular Properties

Compound Namebis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride
PubChem CID161149505
Molecular FormulaC22H42ClSi2Zr-7
Molecular Weight489.43 g/mol
Exact Mass487.16
IUPAC Namebis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride
SMILESCCCCc1cc[cH-]c1.CCCCc1cc[cH-]c1.[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[SiH2]=[Zr]=[SiH2]
InChIInChI=1S/2C9H13.4CH3.ClH.2H2Si.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;;;;;;/h2*4-5,7-8H,2-3,6H2,1H3;4*1H3;1H;2*1H2;/q6*-1;;;;/p-1
InChIKeyXMUODVJNGFXQJX-UHFFFAOYSA-M
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 52.47
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

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Frequently Asked Questions

What is the IUPAC name of bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride?
The IUPAC name of bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride (CID 161149505) is bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride.
What is the SMILES notation for bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride?
The canonical SMILES for bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride is CCCCc1cc[cH-]c1.CCCCc1cc[cH-]c1.[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[SiH2]=[Zr]=[SiH2].
What is the InChIKey of bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride?
The InChIKey is XMUODVJNGFXQJX-UHFFFAOYSA-M. The full InChI is InChI=1S/2C9H13.4CH3.ClH.2H2Si.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;;;;;;/h2*4-5,7-8H,2-3,6H2,1H3;4*1H3;1H;2*1H2;/q6*-1;;;;/p-1.
What are the key properties of bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride?
bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride has a molecular weight of 489.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butylcyclopenta-1,3-diene);carbanide;disilylidenezirconium;chloride is sourced from PubChem (CID 161149505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).