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

C22H32Cl2HfSi-2 — CID 22461475

IUPAC2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-1,3-diene;dichloride
SMILESC1=CC2[CH-]C3CCCCC3C2C=C1.CCC1=[C-]CC=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/C13H17.C7H9.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-7-5-3-4-6-7;1-3-2;;;/h1,3,5,7,9-13H,2,4,6,8H2;3,5H,2,4H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHBAQRMFXTOWOFK-UHFFFAOYSA-L
MW573.98 g/mol
LogP0.25
Rot. Bonds1

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

2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-1,3-diene;dichloride (PubChem CID 22461475) has the molecular formula C22H32Cl2HfSi-2 and a molecular weight of 573.98 g/mol. Its IUPAC name is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Name2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-1,3-diene;dichloride
PubChem CID22461475
Molecular FormulaC22H32Cl2HfSi-2
Molecular Weight573.98 g/mol
Exact Mass574.11
IUPAC Name2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-1,3-diene;dichloride
SMILESC1=CC2[CH-]C3CCCCC3C2C=C1.CCC1=[C-]CC=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/C13H17.C7H9.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-7-5-3-4-6-7;1-3-2;;;/h1,3,5,7,9-13H,2,4,6,8H2;3,5H,2,4H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHBAQRMFXTOWOFK-UHFFFAOYSA-L
XLogP0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.98
LogP ≤ 50.25
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'}

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

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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-ethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-1,3-diene;dichloride (CID 22461475) is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-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-ethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-1,3-diene;dichloride is C1=CC2[CH-]C3CCCCC3C2C=C1.CCC1=[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-ethylcyclopenta-1,3-diene;dichloride?
The InChIKey is HBAQRMFXTOWOFK-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H17.C7H9.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-7-5-3-4-6-7;1-3-2;;;/h1,3,5,7,9-13H,2,4,6,8H2;3,5H,2,4H2,1H3;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-ethylcyclopenta-1,3-diene;dichloride?
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;dimethylsilylidenehafnium(2+);2-ethylcyclopenta-1,3-diene;dichloride has a molecular weight of 573.98 g/mol, XLogP of 0.25, 1 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-ethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 22461475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).