2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile

C30H29NSi — CID 101138929

IUPAC2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile
SMILESCCC(C#N)(CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29NSi/c1-2-30(25-31,26-15-7-3-8-16-26)23-24-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22H,2,23-24H2,1H3
InChIKeyWTSOYIHOYISGBH-UHFFFAOYSA-N
MW431.66 g/mol
LogP5.42
Rot. Bonds8

About 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile

2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile (PubChem CID 101138929) has the molecular formula C30H29NSi and a molecular weight of 431.66 g/mol. Its IUPAC name is 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile.

Molecular Properties

Compound Name2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile
PubChem CID101138929
Molecular FormulaC30H29NSi
Molecular Weight431.66 g/mol
Exact Mass431.21
IUPAC Name2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile
SMILESCCC(C#N)(CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29NSi/c1-2-30(25-31,26-15-7-3-8-16-26)23-24-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22H,2,23-24H2,1H3
InChIKeyWTSOYIHOYISGBH-UHFFFAOYSA-N
XLogP5.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.66
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile?
The IUPAC name of 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile (CID 101138929) is 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile.
What is the SMILES notation for 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile?
The canonical SMILES for 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile is CCC(C#N)(CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile?
The InChIKey is WTSOYIHOYISGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NSi/c1-2-30(25-31,26-15-7-3-8-16-26)23-24-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22H,2,23-24H2,1H3.
What are the key properties of 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile?
2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile has a molecular weight of 431.66 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile is sourced from PubChem (CID 101138929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).