[acetyloxy(2-aminoethyl)silyl] acetate

C6H13NO4Si — CID 173167908

IUPAC[acetyloxy(2-aminoethyl)silyl] acetate
SMILESCC(=O)O[SiH](CCN)OC(C)=O
InChIInChI=1S/C6H13NO4Si/c1-5(8)10-12(4-3-7)11-6(2)9/h12H,3-4,7H2,1-2H3
InChIKeyRBOXCFZKDSWAKV-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.71
Rot. Bonds4

About [acetyloxy(2-aminoethyl)silyl] acetate

[acetyloxy(2-aminoethyl)silyl] acetate (PubChem CID 173167908) has the molecular formula C6H13NO4Si and a molecular weight of 191.26 g/mol. Its IUPAC name is [acetyloxy(2-aminoethyl)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy(2-aminoethyl)silyl] acetate
PubChem CID173167908
Molecular FormulaC6H13NO4Si
Molecular Weight191.26 g/mol
Exact Mass191.06
IUPAC Name[acetyloxy(2-aminoethyl)silyl] acetate
SMILESCC(=O)O[SiH](CCN)OC(C)=O
InChIInChI=1S/C6H13NO4Si/c1-5(8)10-12(4-3-7)11-6(2)9/h12H,3-4,7H2,1-2H3
InChIKeyRBOXCFZKDSWAKV-UHFFFAOYSA-N
XLogP-0.71
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[acetyloxy-[2-[acetyloxy(dimethyl)silyl]ethyl]silyl] acetate
CID 58151786
aminomethyl acetate;hydrate
CID 173252999
[methyl(propyl)silyl] acetate
CID 154069177
CID 161328323
CID 161328323
(2-aminoethylamino) acetate;cadmium;dihydrate
CID 174988758
aminomethyl acetate;dihydrochloride
CID 175752598
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
disodium;ethane-1,2-diamine;diacetate;dihydrate
CID 172826063

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(2-aminoethyl)silyl] acetate?
The IUPAC name of [acetyloxy(2-aminoethyl)silyl] acetate (CID 173167908) is [acetyloxy(2-aminoethyl)silyl] acetate.
What is the SMILES notation for [acetyloxy(2-aminoethyl)silyl] acetate?
The canonical SMILES for [acetyloxy(2-aminoethyl)silyl] acetate is CC(=O)O[SiH](CCN)OC(C)=O.
What is the InChIKey of [acetyloxy(2-aminoethyl)silyl] acetate?
The InChIKey is RBOXCFZKDSWAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4Si/c1-5(8)10-12(4-3-7)11-6(2)9/h12H,3-4,7H2,1-2H3.
What are the key properties of [acetyloxy(2-aminoethyl)silyl] acetate?
[acetyloxy(2-aminoethyl)silyl] acetate has a molecular weight of 191.26 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(2-aminoethyl)silyl] acetate is sourced from PubChem (CID 173167908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).