cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride

C24H28Cl2SiZr-2 — CID 87141014

IUPACcyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
SMILESCC(C)=[Zr+2].C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H13Si.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h1-9H;6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyZPFAWNGKNVKNFW-UHFFFAOYSA-L
MW506.70 g/mol
LogP1.02
Rot. Bonds1

About cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride

cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride (PubChem CID 87141014) has the molecular formula C24H28Cl2SiZr-2 and a molecular weight of 506.70 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
PubChem CID87141014
Molecular FormulaC24H28Cl2SiZr-2
Molecular Weight506.70 g/mol
Exact Mass504.04
IUPAC Namecyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
SMILESCC(C)=[Zr+2].C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H13Si.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h1-9H;6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyZPFAWNGKNVKNFW-UHFFFAOYSA-L
XLogP1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.70
LogP ≤ 51.02
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 cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride (CID 87141014) is cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride is CC(C)=[Zr+2].C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride?
The InChIKey is ZPFAWNGKNVKNFW-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C8H13Si.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h1-9H;6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride?
cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride has a molecular weight of 506.70 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride is sourced from PubChem (CID 87141014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).