3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one

C21H36O3Si — CID 11382955

IUPAC3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one
SMILESCCCC[Si](CCCC)(CCCC)OC(CO)C(=O)c1ccccc1
InChIInChI=1S/C21H36O3Si/c1-4-7-15-25(16-8-5-2,17-9-6-3)24-20(18-22)21(23)19-13-11-10-12-14-19/h10-14,20,22H,4-9,15-18H2,1-3H3
InChIKeyGPJFJLJONNWIAF-UHFFFAOYSA-N
MW364.60 g/mol
LogP5.59
Rot. Bonds14

About 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one

3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one (PubChem CID 11382955) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one
PubChem CID11382955
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one
SMILESCCCC[Si](CCCC)(CCCC)OC(CO)C(=O)c1ccccc1
InChIInChI=1S/C21H36O3Si/c1-4-7-15-25(16-8-5-2,17-9-6-3)24-20(18-22)21(23)19-13-11-10-12-14-19/h10-14,20,22H,4-9,15-18H2,1-3H3
InChIKeyGPJFJLJONNWIAF-UHFFFAOYSA-N
XLogP5.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione
CID 175720715
2-pentyl-1-phenylheptan-1-one
CID 67882345
bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)
CID 175720659
2-fluoro-1-phenylhexan-1-one
CID 165359070
(1-oxo-1-phenylbutan-2-yl) benzoate
CID 102496399
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
2-butylsulfonyl-1-phenylpropan-1-one
CID 64636336
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
2-[dibutyl-(1,3-dioxo-1,3-diphenylpropan-2-yl)stannyl]-1,3-diphenylpropane-1,3-dione
CID 10842248
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
2-benzoyldodecanamide
CID 87280750
butyl 2-chloro-3-oxo-3-phenylpropanoate
CID 141499947

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one?
The IUPAC name of 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one (CID 11382955) is 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one.
What is the SMILES notation for 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one?
The canonical SMILES for 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one is CCCC[Si](CCCC)(CCCC)OC(CO)C(=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one?
The InChIKey is GPJFJLJONNWIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-4-7-15-25(16-8-5-2,17-9-6-3)24-20(18-22)21(23)19-13-11-10-12-14-19/h10-14,20,22H,4-9,15-18H2,1-3H3.
What are the key properties of 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one?
3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one has a molecular weight of 364.60 g/mol, XLogP of 5.59, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one is sourced from PubChem (CID 11382955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).