1-[dimethyl(phenyl)silyl]butan-1-one

C12H18OSi — CID 10822186

IUPAC1-[dimethyl(phenyl)silyl]butan-1-one
SMILESCCCC(=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-4-8-12(13)14(2,3)11-9-6-5-7-10-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyINDHQSOSQMXYNY-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.51
Rot. Bonds4

About 1-[dimethyl(phenyl)silyl]butan-1-one

1-[dimethyl(phenyl)silyl]butan-1-one (PubChem CID 10822186) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]butan-1-one.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]butan-1-one
PubChem CID10822186
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name1-[dimethyl(phenyl)silyl]butan-1-one
SMILESCCCC(=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-4-8-12(13)14(2,3)11-9-6-5-7-10-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyINDHQSOSQMXYNY-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.51
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-[methyl(diphenyl)silyl]butan-1-one
CID 10587992
1-[dimethyl(phenyl)silyl]-3-trimethylsilylpropan-1-one
CID 101379873
1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one
CID 10612922
hexa-1,2-dien-3-yl-dimethyl-phenylsilane
CID 11736076
1-triphenylsilyloxypentan-2-one
CID 18622623
methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
CID 134861981
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
CID 138983143
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
1-phenylbutan-1-one
CID 10315
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
4-[methyl(diphenyl)silyl]-4-oxobutanal
CID 10333988
dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate
CID 101127569

Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(phenyl)silyl]butan-1-one?
The IUPAC name of 1-[dimethyl(phenyl)silyl]butan-1-one (CID 10822186) is 1-[dimethyl(phenyl)silyl]butan-1-one.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]butan-1-one?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]butan-1-one is CCCC(=O)[Si](C)(C)c1ccccc1.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]butan-1-one?
The InChIKey is INDHQSOSQMXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-4-8-12(13)14(2,3)11-9-6-5-7-10-11/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]butan-1-one?
1-[dimethyl(phenyl)silyl]butan-1-one has a molecular weight of 206.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]butan-1-one is sourced from PubChem (CID 10822186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).