cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride

C23H26Cl2HfSi — CID 161248960

About cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride

cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride (PubChem CID 161248960) has the molecular formula C23H26Cl2HfSi and a molecular weight of 579.94 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride.

Molecular Properties

• Compound Name: cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride
• PubChem CID: 161248960
• Molecular Formula: C23H26Cl2HfSi
• Molecular Weight: 579.94 g/mol
• Exact Mass: 580.06
• IUPAC Name: cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride
• SMILES: C=C.C[Si](C)(C)c1cc[cH-]c1.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2
• InChI: InChI=1S/C13H9.C8H13Si.C2H4.2ClH.Hf/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;1-2;;;/h1-5,7-8H,9H2;4-7H,1-3H3;1-2H2;2*1H;/q2*-1;;;;+4/p-2
• InChIKey: FSWIOYFTYGSBML-UHFFFAOYSA-L
• XLogP: -0.18
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.94
LogP ≤ 5	-0.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride?

The IUPAC name of cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride (CID 161248960) is cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride.

What is the SMILES notation for cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride?

The canonical SMILES for cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride is C=C.C[Si](C)(C)c1cc[cH-]c1.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2.

What is the InChIKey of cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride?

The InChIKey is FSWIOYFTYGSBML-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C8H13Si.C2H4.2ClH.Hf/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;1-2;;;/h1-5,7-8H,9H2;4-7H,1-3H3;1-2H2;2*1H;/q2*-1;;;;+4/p-2.

What are the key properties of cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride?

cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride has a molecular weight of 579.94 g/mol, XLogP of -0.18, 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;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride is sourced from PubChem (CID 161248960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).