4-[hydroxy-di(propan-2-yl)silyl]butanenitrile

C₁₀H₂₁NOSi — CID 143688849

About 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile

4-[hydroxy-di(propan-2-yl)silyl]butanenitrile (PubChem CID 143688849) has the molecular formula C₁₀H₂₁NOSi and a molecular weight of 199.37 g/mol. Its IUPAC name is 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile.

Molecular Properties

• Compound Name: 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile
• PubChem CID: 143688849
• Molecular Formula: C₁₀H₂₁NOSi
• Molecular Weight: 199.37 g/mol
• Exact Mass: 199.14
• IUPAC Name: 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile
• SMILES: CC(C)[Si](O)(CCCC#N)C(C)C
• InChI: InChI=1S/C10H21NOSi/c1-9(2)13(12,10(3)4)8-6-5-7-11/h9-10,12H,5-6,8H2,1-4H3
• InChIKey: PAAZDMRPDUGFBZ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 44.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.37
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile?

The IUPAC name of 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile (CID 143688849) is 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile.

What is the SMILES notation for 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile?

The canonical SMILES for 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile is CC(C)[Si](O)(CCCC#N)C(C)C.

What is the InChIKey of 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile?

The InChIKey is PAAZDMRPDUGFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOSi/c1-9(2)13(12,10(3)4)8-6-5-7-11/h9-10,12H,5-6,8H2,1-4H3.

What are the key properties of 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile?

4-[hydroxy-di(propan-2-yl)silyl]butanenitrile has a molecular weight of 199.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile is sourced from PubChem (CID 143688849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143688849 — identifiers, structure, computed properties (public domain)

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