2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride

C24H28Cl2OSiZr-2 — CID 158716394

IUPAC2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride
SMILESCC=[Zr+2].C[Si](C)(CCO)c1ccc[cH-]1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H15OSi.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-11(2,8-7-10)9-5-3-4-6-9;1-2;;;/h1-9H;3-6,10H,7-8H2,1-2H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUJPJXVQRRZJFPS-UHFFFAOYSA-L
MW522.70 g/mol
LogP-0.61
Rot. Bonds3

About 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride

2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride (PubChem CID 158716394) has the molecular formula C24H28Cl2OSiZr-2 and a molecular weight of 522.70 g/mol. Its IUPAC name is 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride.

Molecular Properties

Compound Name2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride
PubChem CID158716394
Molecular FormulaC24H28Cl2OSiZr-2
Molecular Weight522.70 g/mol
Exact Mass520.03
IUPAC Name2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride
SMILESCC=[Zr+2].C[Si](C)(CCO)c1ccc[cH-]1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H15OSi.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-11(2,8-7-10)9-5-3-4-6-9;1-2;;;/h1-9H;3-6,10H,7-8H2,1-2H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUJPJXVQRRZJFPS-UHFFFAOYSA-L
XLogP-0.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.70
LogP ≤ 5-0.61
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'}

Analyze 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride with MolForge

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Related Compounds

cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride
CID 158703055
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol
CID 87993746
dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)
CID 87673225
benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride
CID 160997041
CID 173225769
CID 173225769
[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 160548859
CID 158536136
CID 158536136
cyclopenta-1,3-diene;1-[2-hydroxyethyl(dimethyl)silyl]ethylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158136527
benzylidenezirconium(2+);(3,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylsilane;9H-fluoren-9-ide;dichloride
CID 87464855
cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)
CID 154431960
CID 173309894
CID 173309894

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride?
The IUPAC name of 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride (CID 158716394) is 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride.
What is the SMILES notation for 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride?
The canonical SMILES for 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride is CC=[Zr+2].C[Si](C)(CCO)c1ccc[cH-]1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride?
The InChIKey is UJPJXVQRRZJFPS-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C9H15OSi.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-11(2,8-7-10)9-5-3-4-6-9;1-2;;;/h1-9H;3-6,10H,7-8H2,1-2H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride?
2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride has a molecular weight of 522.70 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]ethanol;ethylidenezirconium(2+);9H-fluoren-9-ide;dichloride is sourced from PubChem (CID 158716394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).