[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate

C13H19NO4Si — CID 90098236

IUPAC[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate
SMILESCC(=O)O[Si](CCCN)(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H19NO4Si/c1-11(15)17-19(10-6-9-14,18-12(2)16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,14H2,1-2H3
InChIKeyZKOZDTPXEMUQES-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.81
Rot. Bonds6

About [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate

[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate (PubChem CID 90098236) has the molecular formula C13H19NO4Si and a molecular weight of 281.38 g/mol. Its IUPAC name is [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate
PubChem CID90098236
Molecular FormulaC13H19NO4Si
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate
SMILESCC(=O)O[Si](CCCN)(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H19NO4Si/c1-11(15)17-19(10-6-9-14,18-12(2)16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,14H2,1-2H3
InChIKeyZKOZDTPXEMUQES-UHFFFAOYSA-N
XLogP0.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.81
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-(aminomethyl)-phenylsilyl] acetate
CID 141215853
[acetyloxy-[3-(oxetan-3-yl)propyl]-phenylsilyl] acetate
CID 141216007
3-[diphenoxy(phenyl)silyl]propan-1-amine
CID 139775070
[ethyl(diphenyl)silyl] acetate
CID 66773951
3-[difluoro(phenyl)silyl]propyl acetate
CID 174136211
3-[hydroxy(diphenyl)silyl]propan-1-amine
CID 164773913
3-[phenyl-bis(2,2,2-trifluoroethoxy)silyl]propan-1-amine
CID 54356096
[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate
CID 152719946
[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate
CID 162512141
[dimethoxy(phenyl)silyl] acetate
CID 66889787
[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate
CID 66773624
(methoxy-methyl-phenylsilyl) acetate
CID 122395154

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate?
The IUPAC name of [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate (CID 90098236) is [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate.
What is the SMILES notation for [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate?
The canonical SMILES for [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate is CC(=O)O[Si](CCCN)(OC(C)=O)c1ccccc1.
What is the InChIKey of [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate?
The InChIKey is ZKOZDTPXEMUQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4Si/c1-11(15)17-19(10-6-9-14,18-12(2)16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,14H2,1-2H3.
What are the key properties of [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate?
[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate has a molecular weight of 281.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(3-aminopropyl)-phenylsilyl] acetate is sourced from PubChem (CID 90098236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).