1-phenyl-1-trimethylsilyloxypropan-2-one

C12H18O2Si — CID 14957195

IUPAC1-phenyl-1-trimethylsilyloxypropan-2-one
SMILESCC(=O)C(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C12H18O2Si/c1-10(13)12(14-15(2,3)4)11-8-6-5-7-9-11/h5-9,12H,1-4H3
InChIKeyYWSVWJOQERVHCC-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.17
Rot. Bonds4

About 1-phenyl-1-trimethylsilyloxypropan-2-one

1-phenyl-1-trimethylsilyloxypropan-2-one (PubChem CID 14957195) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-phenyl-1-trimethylsilyloxypropan-2-one.

Molecular Properties

Compound Name1-phenyl-1-trimethylsilyloxypropan-2-one
PubChem CID14957195
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name1-phenyl-1-trimethylsilyloxypropan-2-one
SMILESCC(=O)C(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C12H18O2Si/c1-10(13)12(14-15(2,3)4)11-8-6-5-7-9-11/h5-9,12H,1-4H3
InChIKeyYWSVWJOQERVHCC-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
trimethyl(1-phenylethoxy)silane
CID 519015
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
CID 59883683
CID 59883683
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
1-[dimethyl(phenyl)silyl]-1-phenylpropan-2-one
CID 146161942
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
2-(3-methylsulfonyloxyphenyl)-2-trimethylsilyloxyacetic acid
CID 23034212
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
3,4,5-trihydroxy-6-(2-oxo-1-phenylpropoxy)oxane-2-carboxylic acid
CID 171114881

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-trimethylsilyloxypropan-2-one?
The IUPAC name of 1-phenyl-1-trimethylsilyloxypropan-2-one (CID 14957195) is 1-phenyl-1-trimethylsilyloxypropan-2-one.
What is the SMILES notation for 1-phenyl-1-trimethylsilyloxypropan-2-one?
The canonical SMILES for 1-phenyl-1-trimethylsilyloxypropan-2-one is CC(=O)C(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 1-phenyl-1-trimethylsilyloxypropan-2-one?
The InChIKey is YWSVWJOQERVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-10(13)12(14-15(2,3)4)11-8-6-5-7-9-11/h5-9,12H,1-4H3.
What are the key properties of 1-phenyl-1-trimethylsilyloxypropan-2-one?
1-phenyl-1-trimethylsilyloxypropan-2-one has a molecular weight of 222.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-trimethylsilyloxypropan-2-one is sourced from PubChem (CID 14957195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).