3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride

C29H36Cl2Hf — CID 161364942

About 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride

3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride (PubChem CID 161364942) has the molecular formula C29H36Cl2Hf and a molecular weight of 634.00 g/mol. Its IUPAC name is 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride.

Molecular Properties

• Compound Name: 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride
• PubChem CID: 161364942
• Molecular Formula: C29H36Cl2Hf
• Molecular Weight: 634.00 g/mol
• Exact Mass: 634.17
• IUPAC Name: 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride
• SMILES: C=C.CC(C)(C)c1c[c-]c2c(c1)-c1cc(C(C)(C)C)ccc1C2.Cc1cc[cH-]c1.[Cl-].[Cl-].[Hf+4]
• InChI: InChI=1S/C21H25.C6H7.C2H4.2ClH.Hf/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-6-4-2-3-5-6;1-2;;;/h7,9-10,12-13H,11H2,1-6H3;2-5H,1H3;1-2H2;2*1H;/q2*-1;;;;+4/p-2
• InChIKey: BOJKRVZLFLUWAV-UHFFFAOYSA-L
• XLogP: 2.17
• TPSA: 0.00 Ų
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.00
LogP ≤ 5	2.17
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride?

The IUPAC name of 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride (CID 161364942) is 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride.

What is the SMILES notation for 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride?

The canonical SMILES for 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride is C=C.CC(C)(C)c1c[c-]c2c(c1)-c1cc(C(C)(C)C)ccc1C2.Cc1cc[cH-]c1.[Cl-].[Cl-].[Hf+4].

What is the InChIKey of 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride?

The InChIKey is BOJKRVZLFLUWAV-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H25.C6H7.C2H4.2ClH.Hf/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-6-4-2-3-5-6;1-2;;;/h7,9-10,12-13H,11H2,1-6H3;2-5H,1H3;1-2H2;2*1H;/q2*-1;;;;+4/p-2.

What are the key properties of 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride?

3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride has a molecular weight of 634.00 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);2-methylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 161364942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).