[diacetyloxy(2-cyanoethyl)silyl] acetate

C9H13NO6Si — CID 71349837

IUPAC[diacetyloxy(2-cyanoethyl)silyl] acetate
SMILESCC(=O)O[Si](CCC#N)(OC(C)=O)OC(C)=O
InChIInChI=1S/C9H13NO6Si/c1-7(11)14-17(6-4-5-10,15-8(2)12)16-9(3)13/h4,6H2,1-3H3
InChIKeyKVKVYYGLSLKKNR-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.53
Rot. Bonds5

About [diacetyloxy(2-cyanoethyl)silyl] acetate

[diacetyloxy(2-cyanoethyl)silyl] acetate (PubChem CID 71349837) has the molecular formula C9H13NO6Si and a molecular weight of 259.29 g/mol. Its IUPAC name is [diacetyloxy(2-cyanoethyl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(2-cyanoethyl)silyl] acetate
PubChem CID71349837
Molecular FormulaC9H13NO6Si
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name[diacetyloxy(2-cyanoethyl)silyl] acetate
SMILESCC(=O)O[Si](CCC#N)(OC(C)=O)OC(C)=O
InChIInChI=1S/C9H13NO6Si/c1-7(11)14-17(6-4-5-10,15-8(2)12)16-9(3)13/h4,6H2,1-3H3
InChIKeyKVKVYYGLSLKKNR-UHFFFAOYSA-N
XLogP0.53
TPSA102.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 [diacetyloxy(2-cyanoethyl)silyl] acetate?
The IUPAC name of [diacetyloxy(2-cyanoethyl)silyl] acetate (CID 71349837) is [diacetyloxy(2-cyanoethyl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(2-cyanoethyl)silyl] acetate?
The canonical SMILES for [diacetyloxy(2-cyanoethyl)silyl] acetate is CC(=O)O[Si](CCC#N)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(2-cyanoethyl)silyl] acetate?
The InChIKey is KVKVYYGLSLKKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6Si/c1-7(11)14-17(6-4-5-10,15-8(2)12)16-9(3)13/h4,6H2,1-3H3.
What are the key properties of [diacetyloxy(2-cyanoethyl)silyl] acetate?
[diacetyloxy(2-cyanoethyl)silyl] acetate has a molecular weight of 259.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(2-cyanoethyl)silyl] acetate is sourced from PubChem (CID 71349837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).