[acetyloxy-(aminomethyl)-phenylsilyl] acetate

C11H15NO4Si — CID 141215853

IUPAC[acetyloxy-(aminomethyl)-phenylsilyl] acetate
SMILESCC(=O)O[Si](CN)(OC(C)=O)c1ccccc1
InChIInChI=1S/C11H15NO4Si/c1-9(13)15-17(8-12,16-10(2)14)11-6-4-3-5-7-11/h3-7H,8,12H2,1-2H3
InChIKeyCLQIYGFVJTXLRF-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.04
Rot. Bonds4

About [acetyloxy-(aminomethyl)-phenylsilyl] acetate

[acetyloxy-(aminomethyl)-phenylsilyl] acetate (PubChem CID 141215853) has the molecular formula C11H15NO4Si and a molecular weight of 253.33 g/mol. Its IUPAC name is [acetyloxy-(aminomethyl)-phenylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(aminomethyl)-phenylsilyl] acetate
PubChem CID141215853
Molecular FormulaC11H15NO4Si
Molecular Weight253.33 g/mol
Exact Mass253.08
IUPAC Name[acetyloxy-(aminomethyl)-phenylsilyl] acetate
SMILESCC(=O)O[Si](CN)(OC(C)=O)c1ccccc1
InChIInChI=1S/C11H15NO4Si/c1-9(13)15-17(8-12,16-10(2)14)11-6-4-3-5-7-11/h3-7H,8,12H2,1-2H3
InChIKeyCLQIYGFVJTXLRF-UHFFFAOYSA-N
XLogP-0.04
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.04
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-(3-aminopropyl)-phenylsilyl] acetate
CID 90098236
[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate
CID 152719946
[ethyl(diphenyl)silyl] acetate
CID 66773951
[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate
CID 162512141
[dimethoxy(phenyl)silyl] acetate
CID 66889787
(methoxy-methyl-phenylsilyl) acetate
CID 122395154
[acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate
CID 141216007
[diacetyloxy(phenyl)silyl] 2-methoxyacetate
CID 67232627
3-[difluoro(phenyl)silyl]propyl acetate
CID 174136211
[acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate
CID 154094239
(hydroxymethyl-methyl-phenylsilyl)methyl acetate
CID 102492893
ethyl acetate;trimethoxy(phenyl)silane
CID 175137156

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(aminomethyl)-phenylsilyl] acetate?
The IUPAC name of [acetyloxy-(aminomethyl)-phenylsilyl] acetate (CID 141215853) is [acetyloxy-(aminomethyl)-phenylsilyl] acetate.
What is the SMILES notation for [acetyloxy-(aminomethyl)-phenylsilyl] acetate?
The canonical SMILES for [acetyloxy-(aminomethyl)-phenylsilyl] acetate is CC(=O)O[Si](CN)(OC(C)=O)c1ccccc1.
What is the InChIKey of [acetyloxy-(aminomethyl)-phenylsilyl] acetate?
The InChIKey is CLQIYGFVJTXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4Si/c1-9(13)15-17(8-12,16-10(2)14)11-6-4-3-5-7-11/h3-7H,8,12H2,1-2H3.
What are the key properties of [acetyloxy-(aminomethyl)-phenylsilyl] acetate?
[acetyloxy-(aminomethyl)-phenylsilyl] acetate has a molecular weight of 253.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(aminomethyl)-phenylsilyl] acetate is sourced from PubChem (CID 141215853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).