2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile

C9H13NOSSi — CID 12962602

IUPAC2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1cccs1
InChIInChI=1S/C9H13NOSSi/c1-13(2,3)11-8(7-10)9-5-4-6-12-9/h4-6,8H,1-3H3
InChIKeyLTECKCSGCDETOR-UHFFFAOYSA-N
MW211.36 g/mol
LogP3.16
Rot. Bonds3

About 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile

2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile (PubChem CID 12962602) has the molecular formula C9H13NOSSi and a molecular weight of 211.36 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile
PubChem CID12962602
Molecular FormulaC9H13NOSSi
Molecular Weight211.36 g/mol
Exact Mass211.05
IUPAC Name2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1cccs1
InChIInChI=1S/C9H13NOSSi/c1-13(2,3)11-8(7-10)9-5-4-6-12-9/h4-6,8H,1-3H3
InChIKeyLTECKCSGCDETOR-UHFFFAOYSA-N
XLogP3.16
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile (CID 12962602) is 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile?
The InChIKey is LTECKCSGCDETOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOSSi/c1-13(2,3)11-8(7-10)9-5-4-6-12-9/h4-6,8H,1-3H3.
What are the key properties of 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile?
2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile has a molecular weight of 211.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 12962602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).