[acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate

C13H19NO4Si — CID 154094239

IUPAC[acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate
SMILESCC(=O)O[Si](NC(C)C)(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H19NO4Si/c1-10(2)14-19(17-11(3)15,18-12(4)16)13-8-6-5-7-9-13/h5-10,14H,1-4H3
InChIKeyUWKNFMKNSPYILL-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.96
Rot. Bonds5

About [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate

[acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate (PubChem CID 154094239) has the molecular formula C13H19NO4Si and a molecular weight of 281.38 g/mol. Its IUPAC name is [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate
PubChem CID154094239
Molecular FormulaC13H19NO4Si
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate
SMILESCC(=O)O[Si](NC(C)C)(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H19NO4Si/c1-10(2)14-19(17-11(3)15,18-12(4)16)13-8-6-5-7-9-13/h5-10,14H,1-4H3
InChIKeyUWKNFMKNSPYILL-UHFFFAOYSA-N
XLogP0.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.96
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-phenyl-(propan-2-ylamino)silyl] acetate?
The IUPAC name of [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate (CID 154094239) is [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate.
What is the SMILES notation for [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate?
The canonical SMILES for [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate is CC(=O)O[Si](NC(C)C)(OC(C)=O)c1ccccc1.
What is the InChIKey of [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate?
The InChIKey is UWKNFMKNSPYILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4Si/c1-10(2)14-19(17-11(3)15,18-12(4)16)13-8-6-5-7-9-13/h5-10,14H,1-4H3.
What are the key properties of [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate?
[acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate has a molecular weight of 281.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate is sourced from PubChem (CID 154094239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).