2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile

C17H24N2OSi — CID 166636969

IUPAC2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile
SMILESCC[Si](CC)(CC)C(c1ccc(OC)cc1)C(C#N)C#N
InChIInChI=1S/C17H24N2OSi/c1-5-21(6-2,7-3)17(15(12-18)13-19)14-8-10-16(20-4)11-9-14/h8-11,15,17H,5-7H2,1-4H3
InChIKeySQGBKNSOKWLDQE-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.49
Rot. Bonds7

About 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile

2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile (PubChem CID 166636969) has the molecular formula C17H24N2OSi and a molecular weight of 300.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile
PubChem CID166636969
Molecular FormulaC17H24N2OSi
Molecular Weight300.48 g/mol
Exact Mass300.17
IUPAC Name2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile
SMILESCC[Si](CC)(CC)C(c1ccc(OC)cc1)C(C#N)C#N
InChIInChI=1S/C17H24N2OSi/c1-5-21(6-2,7-3)17(15(12-18)13-19)14-8-10-16(20-4)11-9-14/h8-11,15,17H,5-7H2,1-4H3
InChIKeySQGBKNSOKWLDQE-UHFFFAOYSA-N
XLogP4.49
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]propanedinitrile
CID 121000504
2-bromo-2-(6-methoxynaphthalen-2-yl)acetonitrile
CID 83085596
4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile
CID 43334322
3-hydroxy-2-(4-methoxyphenyl)-3-propylhexanenitrile
CID 143207449
2-[4-(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)butanedinitrile
CID 67215235
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile;hydrochloride
CID 91664109
2-(4-methoxyphenyl)-3-oxopropanenitrile
CID 10866844
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
CID 135011770
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709
(2S,4S)-3-(4-methoxyphenyl)-2,4-dinitropentanedinitrile
CID 125114620

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile?
The IUPAC name of 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile (CID 166636969) is 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile.
What is the SMILES notation for 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile?
The canonical SMILES for 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile is CC[Si](CC)(CC)C(c1ccc(OC)cc1)C(C#N)C#N.
What is the InChIKey of 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile?
The InChIKey is SQGBKNSOKWLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OSi/c1-5-21(6-2,7-3)17(15(12-18)13-19)14-8-10-16(20-4)11-9-14/h8-11,15,17H,5-7H2,1-4H3.
What are the key properties of 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile?
2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile has a molecular weight of 300.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-triethylsilylmethyl]propanedinitrile is sourced from PubChem (CID 166636969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).