1,3-diphenyl-1-triethylsilyloxypropan-2-one

C21H28O2Si — CID 102408671

IUPAC1,3-diphenyl-1-triethylsilyloxypropan-2-one
SMILESCC[Si](CC)(CC)OC(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-4-24(5-2,6-3)23-21(19-15-11-8-12-16-19)20(22)17-18-13-9-7-10-14-18/h7-16,21H,4-6,17H2,1-3H3
InChIKeyOTELODIPFXOPDV-UHFFFAOYSA-N
MW340.54 g/mol
LogP5.56
Rot. Bonds9

About 1,3-diphenyl-1-triethylsilyloxypropan-2-one

1,3-diphenyl-1-triethylsilyloxypropan-2-one (PubChem CID 102408671) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 1,3-diphenyl-1-triethylsilyloxypropan-2-one.

Molecular Properties

Compound Name1,3-diphenyl-1-triethylsilyloxypropan-2-one
PubChem CID102408671
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name1,3-diphenyl-1-triethylsilyloxypropan-2-one
SMILESCC[Si](CC)(CC)OC(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-4-24(5-2,6-3)23-21(19-15-11-8-12-16-19)20(22)17-18-13-9-7-10-14-18/h7-16,21H,4-6,17H2,1-3H3
InChIKeyOTELODIPFXOPDV-UHFFFAOYSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,3-diphenyl-1-triethylsilyloxypropan-2-one?
The IUPAC name of 1,3-diphenyl-1-triethylsilyloxypropan-2-one (CID 102408671) is 1,3-diphenyl-1-triethylsilyloxypropan-2-one.
What is the SMILES notation for 1,3-diphenyl-1-triethylsilyloxypropan-2-one?
The canonical SMILES for 1,3-diphenyl-1-triethylsilyloxypropan-2-one is CC[Si](CC)(CC)OC(C(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-1-triethylsilyloxypropan-2-one?
The InChIKey is OTELODIPFXOPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-4-24(5-2,6-3)23-21(19-15-11-8-12-16-19)20(22)17-18-13-9-7-10-14-18/h7-16,21H,4-6,17H2,1-3H3.
What are the key properties of 1,3-diphenyl-1-triethylsilyloxypropan-2-one?
1,3-diphenyl-1-triethylsilyloxypropan-2-one has a molecular weight of 340.54 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1-triethylsilyloxypropan-2-one is sourced from PubChem (CID 102408671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).