[acetyloxy-(aminomethyl)-methylsilyl] acetate

C6H13NO4Si — CID 23065806

IUPAC[acetyloxy-(aminomethyl)-methylsilyl] acetate
SMILESCC(=O)O[Si](C)(CN)OC(C)=O
InChIInChI=1S/C6H13NO4Si/c1-5(8)10-12(3,4-7)11-6(2)9/h4,7H2,1-3H3
InChIKeyNPWALVHZIWQSIF-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.32
Rot. Bonds3

About [acetyloxy-(aminomethyl)-methylsilyl] acetate

[acetyloxy-(aminomethyl)-methylsilyl] acetate (PubChem CID 23065806) has the molecular formula C6H13NO4Si and a molecular weight of 191.26 g/mol. Its IUPAC name is [acetyloxy-(aminomethyl)-methylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(aminomethyl)-methylsilyl] acetate
PubChem CID23065806
Molecular FormulaC6H13NO4Si
Molecular Weight191.26 g/mol
Exact Mass191.06
IUPAC Name[acetyloxy-(aminomethyl)-methylsilyl] acetate
SMILESCC(=O)O[Si](C)(CN)OC(C)=O
InChIInChI=1S/C6H13NO4Si/c1-5(8)10-12(3,4-7)11-6(2)9/h4,7H2,1-3H3
InChIKeyNPWALVHZIWQSIF-UHFFFAOYSA-N
XLogP-0.32
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
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 [acetyloxy-(aminomethyl)-methylsilyl] acetate?
The IUPAC name of [acetyloxy-(aminomethyl)-methylsilyl] acetate (CID 23065806) is [acetyloxy-(aminomethyl)-methylsilyl] acetate.
What is the SMILES notation for [acetyloxy-(aminomethyl)-methylsilyl] acetate?
The canonical SMILES for [acetyloxy-(aminomethyl)-methylsilyl] acetate is CC(=O)O[Si](C)(CN)OC(C)=O.
What is the InChIKey of [acetyloxy-(aminomethyl)-methylsilyl] acetate?
The InChIKey is NPWALVHZIWQSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4Si/c1-5(8)10-12(3,4-7)11-6(2)9/h4,7H2,1-3H3.
What are the key properties of [acetyloxy-(aminomethyl)-methylsilyl] acetate?
[acetyloxy-(aminomethyl)-methylsilyl] acetate has a molecular weight of 191.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(aminomethyl)-methylsilyl] acetate is sourced from PubChem (CID 23065806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).