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

C24H36Cl2HfSi-2 — CID 22461427

IUPAC2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride
SMILESC1=CC2[CH-]C3CCCCC3C2C=C1.CCC1=[C-]CC=C1CC.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/C13H17.C9H13.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-8-6-5-7-9(8)4-2;1-3-2;;;/h1,3,5,7,9-13H,2,4,6,8H2;6H,3-5H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXZDGQJHRESEZTK-UHFFFAOYSA-L
MW602.03 g/mol
LogP1.03
Rot. Bonds2

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

2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride (PubChem CID 22461427) has the molecular formula C24H36Cl2HfSi-2 and a molecular weight of 602.03 g/mol. Its IUPAC name is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride.

Molecular Properties

Compound Name2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride
PubChem CID22461427
Molecular FormulaC24H36Cl2HfSi-2
Molecular Weight602.03 g/mol
Exact Mass602.14
IUPAC Name2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride
SMILESC1=CC2[CH-]C3CCCCC3C2C=C1.CCC1=[C-]CC=C1CC.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/C13H17.C9H13.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-8-6-5-7-9(8)4-2;1-3-2;;;/h1,3,5,7,9-13H,2,4,6,8H2;6H,3-5H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXZDGQJHRESEZTK-UHFFFAOYSA-L
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.03
LogP ≤ 51.03
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;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride?
The IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride (CID 22461427) is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride.
What is the SMILES notation for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride?
The canonical SMILES for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride is C1=CC2[CH-]C3CCCCC3C2C=C1.CCC1=[C-]CC=C1CC.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;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride?
The InChIKey is XZDGQJHRESEZTK-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H17.C9H13.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-8-6-5-7-9(8)4-2;1-3-2;;;/h1,3,5,7,9-13H,2,4,6,8H2;6H,3-5H2,1-2H3;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;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride?
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-ide;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride has a molecular weight of 602.03 g/mol, XLogP of 1.03, 2 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;2,3-diethylcyclopenta-1,3-diene;dimethylsilylidenehafnium(2+);dichloride is sourced from PubChem (CID 22461427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).