Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)

C₂₄H₆₀HfO₄Si₂ — CID 139997734

About Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)

Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) (PubChem CID 139997734) has the molecular formula C₂₄H₆₀HfO₄Si₂ and a molecular weight of 647.40 g/mol. Its IUPAC name is hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol).

Molecular Properties

• Compound Name: Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)
• PubChem CID: 139997734
• Molecular Formula: C₂₄H₆₀HfO₄Si₂
• Molecular Weight: 647.40 g/mol
• Exact Mass: 648.35
• IUPAC Name: hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)
• SMILES: CC(C)O.CC(C)O.CC(C)[Si](O)(C(C)C)C(C)C.CC(C)[Si](O)(C(C)C)C(C)C.[Hf]
• InChI: InChI=1S/2C9H22OSi.2C3H8O.Hf/c2*1-7(2)11(10,8(3)4)9(5)6;2*1-3(2)4;/h2*7-10H,1-6H3;2*3-4H,1-2H3
• InChIKey: JXTALMMKIGCDIN-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.40
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)?

The IUPAC name of Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) (CID 139997734) is hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol).

What is the SMILES notation for Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)?

The canonical SMILES for Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) is CC(C)O.CC(C)O.CC(C)[Si](O)(C(C)C)C(C)C.CC(C)[Si](O)(C(C)C)C(C)C.[Hf].

What is the InChIKey of Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)?

The InChIKey is JXTALMMKIGCDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H22OSi.2C3H8O.Hf/c2*1-7(2)11(10,8(3)4)9(5)6;2*1-3(2)4;/h2*7-10H,1-6H3;2*3-4H,1-2H3;.

What are the key properties of Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)?

Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) has a molecular weight of 647.40 g/mol, XLogP of 7.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) is sourced from PubChem (CID 139997734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139997734 — identifiers, structure, computed properties (public domain)

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