5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C27H36Hf-2 — CID 175740981

About 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 175740981) has the molecular formula C27H36Hf-2 and a molecular weight of 539.08 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

• Compound Name: 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• PubChem CID: 175740981
• Molecular Formula: C27H36Hf-2
• Molecular Weight: 539.08 g/mol
• Exact Mass: 540.23
• IUPAC Name: 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• SMILES: CC(C)(C)C[c-]1ccc2cc3c(cc21)CCC3.Cc1c(C)c(C)[c-](C)c1C.[Hf]
• InChI: InChI=1S/C17H21.C10H15.Hf/c1-17(2,3)11-15-8-7-14-9-12-5-4-6-13(12)10-16(14)15;1-6-7(2)9(4)10(5)8(6)3;/h7-10H,4-6,11H2,1-3H3;1-5H3;/q2*-1
• InChIKey: LZBIVZCVWWFDKB-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.08
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?

The IUPAC name of 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 175740981) is 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

What is the SMILES notation for 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?

The canonical SMILES for 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is CC(C)(C)C[c-]1ccc2cc3c(cc21)CCC3.Cc1c(C)c(C)[c-](C)c1C.[Hf].

What is the InChIKey of 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?

The InChIKey is LZBIVZCVWWFDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21.C10H15.Hf/c1-17(2,3)11-15-8-7-14-9-12-5-4-6-13(12)10-16(14)15;1-6-7(2)9(4)10(5)8(6)3;/h7-10H,4-6,11H2,1-3H3;1-5H3;/q2*-1;.

What are the key properties of 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?

5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 539.08 g/mol, XLogP of 7.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-dimethylpropyl)-2,3-dihydro-1H-s-indacen-5-ide;hafnium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 175740981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).