1-(4-dimethylsilylphenyl)ethanone

C10H14OSi — CID 124706896

IUPAC1-(4-dimethylsilylphenyl)ethanone
SMILESCC(=O)c1ccc([SiH](C)C)cc1
InChIInChI=1S/C10H14OSi/c1-8(11)9-4-6-10(7-5-9)12(2)3/h4-7,12H,1-3H3
InChIKeyWCMFAKBABYBTCF-UHFFFAOYSA-N
MW178.31 g/mol
LogP1.58
Rot. Bonds2

About 1-(4-dimethylsilylphenyl)ethanone

1-(4-dimethylsilylphenyl)ethanone (PubChem CID 124706896) has the molecular formula C10H14OSi and a molecular weight of 178.31 g/mol. Its IUPAC name is 1-(4-dimethylsilylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-dimethylsilylphenyl)ethanone
PubChem CID124706896
Molecular FormulaC10H14OSi
Molecular Weight178.31 g/mol
Exact Mass178.08
IUPAC Name1-(4-dimethylsilylphenyl)ethanone
SMILESCC(=O)c1ccc([SiH](C)C)cc1
InChIInChI=1S/C10H14OSi/c1-8(11)9-4-6-10(7-5-9)12(2)3/h4-7,12H,1-3H3
InChIKeyWCMFAKBABYBTCF-UHFFFAOYSA-N
XLogP1.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylphenyl)ethanone;methane
CID 159515104
4-acetyl(11C)benzoic acid
CID 11205952
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243
1-[4-tris(4-acetylphenyl)silylphenyl]ethanone
CID 149009059
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
[4-[1-(4-dimethylsilylphenyl)ethenyl]phenyl]-dimethylsilane
CID 172844362
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-(4-arsanylphenyl)ethanone
CID 173138956
4-acetylbenzoic acid;1-(4-acetylphenyl)ethanone;sulfuric acid
CID 167614244
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063

Frequently Asked Questions

What is the IUPAC name of 1-(4-dimethylsilylphenyl)ethanone?
The IUPAC name of 1-(4-dimethylsilylphenyl)ethanone (CID 124706896) is 1-(4-dimethylsilylphenyl)ethanone.
What is the SMILES notation for 1-(4-dimethylsilylphenyl)ethanone?
The canonical SMILES for 1-(4-dimethylsilylphenyl)ethanone is CC(=O)c1ccc([SiH](C)C)cc1.
What is the InChIKey of 1-(4-dimethylsilylphenyl)ethanone?
The InChIKey is WCMFAKBABYBTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OSi/c1-8(11)9-4-6-10(7-5-9)12(2)3/h4-7,12H,1-3H3.
What are the key properties of 1-(4-dimethylsilylphenyl)ethanone?
1-(4-dimethylsilylphenyl)ethanone has a molecular weight of 178.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dimethylsilylphenyl)ethanone is sourced from PubChem (CID 124706896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).