[2-cyanoethyl(propanoyloxy)silyl] propanoate

C9H15NO4Si — CID 123141297

IUPAC[2-cyanoethyl(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[SiH](CCC#N)OC(=O)CC
InChIInChI=1S/C9H15NO4Si/c1-3-8(11)13-15(7-5-6-10)14-9(12)4-2/h15H,3-5,7H2,1-2H3
InChIKeyXUFRLFXANRDHEK-UHFFFAOYSA-N
MW229.31 g/mol
LogP1.03
Rot. Bonds6

About [2-cyanoethyl(propanoyloxy)silyl] propanoate

[2-cyanoethyl(propanoyloxy)silyl] propanoate (PubChem CID 123141297) has the molecular formula C9H15NO4Si and a molecular weight of 229.31 g/mol. Its IUPAC name is [2-cyanoethyl(propanoyloxy)silyl] propanoate.

Molecular Properties

Compound Name[2-cyanoethyl(propanoyloxy)silyl] propanoate
PubChem CID123141297
Molecular FormulaC9H15NO4Si
Molecular Weight229.31 g/mol
Exact Mass229.08
IUPAC Name[2-cyanoethyl(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[SiH](CCC#N)OC(=O)CC
InChIInChI=1S/C9H15NO4Si/c1-3-8(11)13-15(7-5-6-10)14-9(12)4-2/h15H,3-5,7H2,1-2H3
InChIKeyXUFRLFXANRDHEK-UHFFFAOYSA-N
XLogP1.03
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyanoethyl(propanoyloxy)silyl] propanoate?
The IUPAC name of [2-cyanoethyl(propanoyloxy)silyl] propanoate (CID 123141297) is [2-cyanoethyl(propanoyloxy)silyl] propanoate.
What is the SMILES notation for [2-cyanoethyl(propanoyloxy)silyl] propanoate?
The canonical SMILES for [2-cyanoethyl(propanoyloxy)silyl] propanoate is CCC(=O)O[SiH](CCC#N)OC(=O)CC.
What is the InChIKey of [2-cyanoethyl(propanoyloxy)silyl] propanoate?
The InChIKey is XUFRLFXANRDHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4Si/c1-3-8(11)13-15(7-5-6-10)14-9(12)4-2/h15H,3-5,7H2,1-2H3.
What are the key properties of [2-cyanoethyl(propanoyloxy)silyl] propanoate?
[2-cyanoethyl(propanoyloxy)silyl] propanoate has a molecular weight of 229.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyanoethyl(propanoyloxy)silyl] propanoate is sourced from PubChem (CID 123141297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).