1-triphenylsilylpropan-1-one

C21H20OSi — CID 5172917

IUPAC1-triphenylsilylpropan-1-one
SMILESCCC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20OSi/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyRCFKPCFKDVDMME-UHFFFAOYSA-N
MW316.48 g/mol
LogP2.68
Rot. Bonds5

About 1-triphenylsilylpropan-1-one

1-triphenylsilylpropan-1-one (PubChem CID 5172917) has the molecular formula C21H20OSi and a molecular weight of 316.48 g/mol. Its IUPAC name is 1-triphenylsilylpropan-1-one.

Molecular Properties

Compound Name1-triphenylsilylpropan-1-one
PubChem CID5172917
Molecular FormulaC21H20OSi
Molecular Weight316.48 g/mol
Exact Mass316.13
IUPAC Name1-triphenylsilylpropan-1-one
SMILESCCC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20OSi/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyRCFKPCFKDVDMME-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-triphenylsilylpropan-1-one?
The IUPAC name of 1-triphenylsilylpropan-1-one (CID 5172917) is 1-triphenylsilylpropan-1-one.
What is the SMILES notation for 1-triphenylsilylpropan-1-one?
The canonical SMILES for 1-triphenylsilylpropan-1-one is CCC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-triphenylsilylpropan-1-one?
The InChIKey is RCFKPCFKDVDMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20OSi/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3.
What are the key properties of 1-triphenylsilylpropan-1-one?
1-triphenylsilylpropan-1-one has a molecular weight of 316.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triphenylsilylpropan-1-one is sourced from PubChem (CID 5172917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).