2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile

C13H19NO3Si — CID 13439664

IUPAC2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCOc1ccc(C(C#N)O[Si](C)(C)C)cc1OC
InChIInChI=1S/C13H19NO3Si/c1-15-11-7-6-10(8-12(11)16-2)13(9-14)17-18(3,4)5/h6-8,13H,1-5H3
InChIKeyJPHNQTJIYNBRBF-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.12
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile

2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 13439664) has the molecular formula C13H19NO3Si and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID13439664
Molecular FormulaC13H19NO3Si
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCOc1ccc(C(C#N)O[Si](C)(C)C)cc1OC
InChIInChI=1S/C13H19NO3Si/c1-15-11-7-6-10(8-12(11)16-2)13(9-14)17-18(3,4)5/h6-8,13H,1-5H3
InChIKeyJPHNQTJIYNBRBF-UHFFFAOYSA-N
XLogP3.12
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 14566879
2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375794
4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile
CID 10977294
2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
(2R)-2-[4-[(R)-cyano-(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(3,4-dimethoxyphenyl)acetonitrile
CID 28503663
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(3,4-dimethoxyphenyl)acetonitrile
CID 54298422
2-[(3,4-dimethoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960515
(2R)-2-(azepan-1-ium-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile
CID 6942926
2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 103376060

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile (CID 13439664) is 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile is COc1ccc(C(C#N)O[Si](C)(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is JPHNQTJIYNBRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3Si/c1-15-11-7-6-10(8-12(11)16-2)13(9-14)17-18(3,4)5/h6-8,13H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 265.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 13439664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).