2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile

C14H21NO4Si — CID 14566879

IUPAC2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCOc1cc(OC)c(C(C#N)O[Si](C)(C)C)cc1OC
InChIInChI=1S/C14H21NO4Si/c1-16-11-8-13(18-3)12(17-2)7-10(11)14(9-15)19-20(4,5)6/h7-8,14H,1-6H3
InChIKeyNRFVWEYVMNYRRS-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.13
Rot. Bonds6

About 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile

2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 14566879) has the molecular formula C14H21NO4Si and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID14566879
Molecular FormulaC14H21NO4Si
Molecular Weight295.41 g/mol
Exact Mass295.12
IUPAC Name2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCOc1cc(OC)c(C(C#N)O[Si](C)(C)C)cc1OC
InChIInChI=1S/C14H21NO4Si/c1-16-11-8-13(18-3)12(17-2)7-10(11)14(9-15)19-20(4,5)6/h7-8,14H,1-6H3
InChIKeyNRFVWEYVMNYRRS-UHFFFAOYSA-N
XLogP3.13
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-2-(2,4,5-trimethoxyphenyl)acetonitrile
CID 11759533
2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 13439664
(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 125466839
2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 134884261
(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 124630227
2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile
CID 131052691
2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile
CID 102842223
[cyano-(2,4,5-trimethoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 134097214
2-(4,5-dimethoxy-2-methylphenyl)-2-pyrimidin-2-ylacetonitrile
CID 116833483
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
CID 91567159
2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile (CID 14566879) is 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile is COc1cc(OC)c(C(C#N)O[Si](C)(C)C)cc1OC.
What is the InChIKey of 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is NRFVWEYVMNYRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4Si/c1-16-11-8-13(18-3)12(17-2)7-10(11)14(9-15)19-20(4,5)6/h7-8,14H,1-6H3.
What are the key properties of 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile?
2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 295.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 14566879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).