[1-cyanoethyl(dimethyl)silyl] acetate

C7H13NO2Si — CID 23431571

IUPAC[1-cyanoethyl(dimethyl)silyl] acetate
SMILESCC(=O)O[Si](C)(C)C(C)C#N
InChIInChI=1S/C7H13NO2Si/c1-6(5-8)11(3,4)10-7(2)9/h6H,1-4H3
InChIKeyHWGCLGIKERKPCU-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.67
Rot. Bonds2

About [1-cyanoethyl(dimethyl)silyl] acetate

[1-cyanoethyl(dimethyl)silyl] acetate (PubChem CID 23431571) has the molecular formula C7H13NO2Si and a molecular weight of 171.27 g/mol. Its IUPAC name is [1-cyanoethyl(dimethyl)silyl] acetate.

Molecular Properties

Compound Name[1-cyanoethyl(dimethyl)silyl] acetate
PubChem CID23431571
Molecular FormulaC7H13NO2Si
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name[1-cyanoethyl(dimethyl)silyl] acetate
SMILESCC(=O)O[Si](C)(C)C(C)C#N
InChIInChI=1S/C7H13NO2Si/c1-6(5-8)11(3,4)10-7(2)9/h6H,1-4H3
InChIKeyHWGCLGIKERKPCU-UHFFFAOYSA-N
XLogP1.67
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.67
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 [1-cyanoethyl(dimethyl)silyl] acetate?
The IUPAC name of [1-cyanoethyl(dimethyl)silyl] acetate (CID 23431571) is [1-cyanoethyl(dimethyl)silyl] acetate.
What is the SMILES notation for [1-cyanoethyl(dimethyl)silyl] acetate?
The canonical SMILES for [1-cyanoethyl(dimethyl)silyl] acetate is CC(=O)O[Si](C)(C)C(C)C#N.
What is the InChIKey of [1-cyanoethyl(dimethyl)silyl] acetate?
The InChIKey is HWGCLGIKERKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2Si/c1-6(5-8)11(3,4)10-7(2)9/h6H,1-4H3.
What are the key properties of [1-cyanoethyl(dimethyl)silyl] acetate?
[1-cyanoethyl(dimethyl)silyl] acetate has a molecular weight of 171.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyanoethyl(dimethyl)silyl] acetate is sourced from PubChem (CID 23431571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).