hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride

C24H27Cl2HfP — CID 21096230

About hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride

hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride (PubChem CID 21096230) has the molecular formula C24H27Cl2HfP and a molecular weight of 595.85 g/mol. Its IUPAC name is hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride.

Molecular Properties

• Compound Name: hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
• PubChem CID: 21096230
• Molecular Formula: C24H27Cl2HfP
• Molecular Weight: 595.85 g/mol
• Exact Mass: 596.07
• IUPAC Name: hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
• SMILES: CCCP(CCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1
• InChI: InChI=1S/C15H20P.C9H7.2ClH.Hf/c1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;1-2-5-9-7-3-6-8(9)4-1;;;/h5-8,11-12H,3-4,9-10H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2
• InChIKey: CLNQUBXWVBJCBE-UHFFFAOYSA-L
• XLogP: 1.05
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.85
LogP ≤ 5	1.05
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': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride?

The IUPAC name of hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride (CID 21096230) is hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride.

What is the SMILES notation for hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride?

The canonical SMILES for hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride is CCCP(CCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.

What is the InChIKey of hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride?

The InChIKey is CLNQUBXWVBJCBE-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H20P.C9H7.2ClH.Hf/c1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;1-2-5-9-7-3-6-8(9)4-1;;;/h5-8,11-12H,3-4,9-10H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2.

What are the key properties of hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride?

hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride has a molecular weight of 595.85 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride is sourced from PubChem (CID 21096230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).