4-[tris(2-methylpropyl)silyloxy]benzonitrile

C19H31NOSi — CID 532691

IUPAC4-[tris(2-methylpropyl)silyloxy]benzonitrile
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)Oc1ccc(C#N)cc1
InChIInChI=1S/C19H31NOSi/c1-15(2)12-22(13-16(3)4,14-17(5)6)21-19-9-7-18(11-20)8-10-19/h7-10,15-17H,12-14H2,1-6H3
InChIKeyZWQOMATWIRQXCL-UHFFFAOYSA-N
MW317.55 g/mol
LogP5.85
Rot. Bonds8

About 4-[tris(2-methylpropyl)silyloxy]benzonitrile

4-[tris(2-methylpropyl)silyloxy]benzonitrile (PubChem CID 532691) has the molecular formula C19H31NOSi and a molecular weight of 317.55 g/mol. Its IUPAC name is 4-[tris(2-methylpropyl)silyloxy]benzonitrile.

Molecular Properties

Compound Name4-[tris(2-methylpropyl)silyloxy]benzonitrile
PubChem CID532691
Molecular FormulaC19H31NOSi
Molecular Weight317.55 g/mol
Exact Mass317.22
IUPAC Name4-[tris(2-methylpropyl)silyloxy]benzonitrile
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)Oc1ccc(C#N)cc1
InChIInChI=1S/C19H31NOSi/c1-15(2)12-22(13-16(3)4,14-17(5)6)21-19-9-7-18(11-20)8-10-19/h7-10,15-17H,12-14H2,1-6H3
InChIKeyZWQOMATWIRQXCL-UHFFFAOYSA-N
XLogP5.85
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.55
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-[(1S,2R)-1,2-dibromopropoxy]benzonitrile
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azane;benzene-1,4-dicarbonitrile
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N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide
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4-[4-(1-aminopropan-2-yl)phenoxy]benzonitrile
CID 116996793
4-[2-(bromomethyl)-3-methylbutoxy]benzonitrile
CID 65012167
4-(1,1,3-trifluoropropan-2-yloxy)benzonitrile
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4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-[tris(2-methylpropyl)silyloxy]benzonitrile?
The IUPAC name of 4-[tris(2-methylpropyl)silyloxy]benzonitrile (CID 532691) is 4-[tris(2-methylpropyl)silyloxy]benzonitrile.
What is the SMILES notation for 4-[tris(2-methylpropyl)silyloxy]benzonitrile?
The canonical SMILES for 4-[tris(2-methylpropyl)silyloxy]benzonitrile is CC(C)C[Si](CC(C)C)(CC(C)C)Oc1ccc(C#N)cc1.
What is the InChIKey of 4-[tris(2-methylpropyl)silyloxy]benzonitrile?
The InChIKey is ZWQOMATWIRQXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NOSi/c1-15(2)12-22(13-16(3)4,14-17(5)6)21-19-9-7-18(11-20)8-10-19/h7-10,15-17H,12-14H2,1-6H3.
What are the key properties of 4-[tris(2-methylpropyl)silyloxy]benzonitrile?
4-[tris(2-methylpropyl)silyloxy]benzonitrile has a molecular weight of 317.55 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tris(2-methylpropyl)silyloxy]benzonitrile is sourced from PubChem (CID 532691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).