2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile

C20H23NSi — CID 135062612

IUPAC2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile
SMILESCCC/C(=C\c1ccccc1C#N)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H23NSi/c1-4-10-20(15-17-11-8-9-12-18(17)16-21)22(2,3)19-13-6-5-7-14-19/h5-9,11-15H,4,10H2,1-3H3/b20-15+
InChIKeyGHBFCZMQWHXXIF-HMMYKYKNSA-N
MW305.50 g/mol
LogP4.90
Rot. Bonds5

About 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile

2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile (PubChem CID 135062612) has the molecular formula C20H23NSi and a molecular weight of 305.50 g/mol. Its IUPAC name is 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile
PubChem CID135062612
Molecular FormulaC20H23NSi
Molecular Weight305.50 g/mol
Exact Mass305.16
IUPAC Name2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile
SMILESCCC/C(=C\c1ccccc1C#N)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H23NSi/c1-4-10-20(15-17-11-8-9-12-18(17)16-21)22(2,3)19-13-6-5-7-14-19/h5-9,11-15H,4,10H2,1-3H3/b20-15+
InChIKeyGHBFCZMQWHXXIF-HMMYKYKNSA-N
XLogP4.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylbenzonitrile
CID 10721
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
(1,1'-Biphenyl)-2-carbonitrile
CID 141162
2-(o-Tolyl)acetonitrile
CID 31155
Benzeneacetonitrile, alpha-(phenylmethylene)-
CID 1268120
4'-Octyl-4-cyanobiphenyl
CID 104289
2-Cyano-4'-methylbiphenyl
CID 145512
4-Cyano-4'-pentylbiphenyl
CID 92319
(1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-
CID 93891
[1,1'-Biphenyl]-4-carbonitrile, 4'-decyl-
CID 101061
[1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-
CID 104288
[1,1'-Biphenyl]-4-carbonitrile, 4'-undecyl-
CID 105224

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile?
The IUPAC name of 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile (CID 135062612) is 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile is CCC/C(=C\c1ccccc1C#N)[Si](C)(C)c1ccccc1.
What is the InChIKey of 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile?
The InChIKey is GHBFCZMQWHXXIF-HMMYKYKNSA-N. The full InChI is InChI=1S/C20H23NSi/c1-4-10-20(15-17-11-8-9-12-18(17)16-21)22(2,3)19-13-6-5-7-14-19/h5-9,11-15H,4,10H2,1-3H3/b20-15+.
What are the key properties of 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile?
2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile has a molecular weight of 305.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[dimethyl(phenyl)silyl]pent-1-enyl]benzonitrile is sourced from PubChem (CID 135062612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).