2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride

C21H30Cl2HfSi-2 — CID 22461403

About 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride

2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride (PubChem CID 22461403) has the molecular formula C21H30Cl2HfSi-2 and a molecular weight of 559.95 g/mol. Its IUPAC name is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride.

Molecular Properties

• Compound Name: 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride
• PubChem CID: 22461403
• Molecular Formula: C21H30Cl2HfSi-2
• Molecular Weight: 559.95 g/mol
• Exact Mass: 560.10
• IUPAC Name: 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride
• SMILES: C1=CC2[CH-]C3CCCCC3C2C=C1.CC1=[C-]CC=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
• InChI: InChI=1S/C13H17.C6H7.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-6;1-3-2;;;/h1,3,5,7,9-13H,2,4,6,8H2;2,4H,3H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: CFXFNMXDGAPTQN-UHFFFAOYSA-L
• XLogP: -0.14
• TPSA: 0.00 Ų
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.95
LogP ≤ 5	-0.14
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'}

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride?

The IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride (CID 22461403) is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride.

What is the SMILES notation for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride?

The canonical SMILES for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride is C1=CC2[CH-]C3CCCCC3C2C=C1.CC1=[C-]CC=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-].

What is the InChIKey of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride?

The InChIKey is CFXFNMXDGAPTQN-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H17.C6H7.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-6;1-3-2;;;/h1,3,5,7,9-13H,2,4,6,8H2;2,4H,3H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride?

2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride has a molecular weight of 559.95 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-methylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 22461403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).