[diacetyloxy(1-cyanoethyl)silyl] acetate

C9H13NO6Si — CID 175353768

IUPAC[diacetyloxy(1-cyanoethyl)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)C(C)C#N
InChIInChI=1S/C9H13NO6Si/c1-6(5-10)17(14-7(2)11,15-8(3)12)16-9(4)13/h6H,1-4H3
InChIKeyCOBDFZNXIQKZBY-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.53
Rot. Bonds4

About [diacetyloxy(1-cyanoethyl)silyl] acetate

[diacetyloxy(1-cyanoethyl)silyl] acetate (PubChem CID 175353768) has the molecular formula C9H13NO6Si and a molecular weight of 259.29 g/mol. Its IUPAC name is [diacetyloxy(1-cyanoethyl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(1-cyanoethyl)silyl] acetate
PubChem CID175353768
Molecular FormulaC9H13NO6Si
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name[diacetyloxy(1-cyanoethyl)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)C(C)C#N
InChIInChI=1S/C9H13NO6Si/c1-6(5-10)17(14-7(2)11,15-8(3)12)16-9(4)13/h6H,1-4H3
InChIKeyCOBDFZNXIQKZBY-UHFFFAOYSA-N
XLogP0.53
TPSA102.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
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(1-cyanoethyl)silyl] acetate?
The IUPAC name of [diacetyloxy(1-cyanoethyl)silyl] acetate (CID 175353768) is [diacetyloxy(1-cyanoethyl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(1-cyanoethyl)silyl] acetate?
The canonical SMILES for [diacetyloxy(1-cyanoethyl)silyl] acetate is CC(=O)O[Si](OC(C)=O)(OC(C)=O)C(C)C#N.
What is the InChIKey of [diacetyloxy(1-cyanoethyl)silyl] acetate?
The InChIKey is COBDFZNXIQKZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6Si/c1-6(5-10)17(14-7(2)11,15-8(3)12)16-9(4)13/h6H,1-4H3.
What are the key properties of [diacetyloxy(1-cyanoethyl)silyl] acetate?
[diacetyloxy(1-cyanoethyl)silyl] acetate has a molecular weight of 259.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(1-cyanoethyl)silyl] acetate is sourced from PubChem (CID 175353768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).