4-[methyl(diphenyl)silyl]-4-oxobutanal

C17H18O2Si — CID 10333988

IUPAC4-[methyl(diphenyl)silyl]-4-oxobutanal
SMILESC[Si](C(=O)CCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2Si/c1-20(17(19)13-8-14-18,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,14H,8,13H2,1H3
InChIKeyJYSZFSUPQQORTK-UHFFFAOYSA-N
MW282.42 g/mol
LogP1.97
Rot. Bonds6

About 4-[methyl(diphenyl)silyl]-4-oxobutanal

4-[methyl(diphenyl)silyl]-4-oxobutanal (PubChem CID 10333988) has the molecular formula C17H18O2Si and a molecular weight of 282.42 g/mol. Its IUPAC name is 4-[methyl(diphenyl)silyl]-4-oxobutanal.

Molecular Properties

Compound Name4-[methyl(diphenyl)silyl]-4-oxobutanal
PubChem CID10333988
Molecular FormulaC17H18O2Si
Molecular Weight282.42 g/mol
Exact Mass282.11
IUPAC Name4-[methyl(diphenyl)silyl]-4-oxobutanal
SMILESC[Si](C(=O)CCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2Si/c1-20(17(19)13-8-14-18,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,14H,8,13H2,1H3
InChIKeyJYSZFSUPQQORTK-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(diphenyl)silyl]butan-1-one
CID 10587992
fluorobenzene;4-oxobutanoic acid
CID 88636565
1-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
(Z)-4,5-diphenylpent-4-enal
CID 102069655
1-[dimethyl(phenyl)silyl]-3-trimethylsilylpropan-1-one
CID 101379873
(Z)-6-[dimethyl(phenyl)silyl]hex-5-en-2-one
CID 56926435
2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde
CID 91140202
diphenylmethanone;propanal
CID 159329764
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
(3,7-dimethyl-10-oxodeca-2,6-dienyl) benzoate
CID 71325361
1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one
CID 10612922
methane;4-(4-methylphenyl)-4-oxobutanal
CID 143644548

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(diphenyl)silyl]-4-oxobutanal?
The IUPAC name of 4-[methyl(diphenyl)silyl]-4-oxobutanal (CID 10333988) is 4-[methyl(diphenyl)silyl]-4-oxobutanal.
What is the SMILES notation for 4-[methyl(diphenyl)silyl]-4-oxobutanal?
The canonical SMILES for 4-[methyl(diphenyl)silyl]-4-oxobutanal is C[Si](C(=O)CCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[methyl(diphenyl)silyl]-4-oxobutanal?
The InChIKey is JYSZFSUPQQORTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2Si/c1-20(17(19)13-8-14-18,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,14H,8,13H2,1H3.
What are the key properties of 4-[methyl(diphenyl)silyl]-4-oxobutanal?
4-[methyl(diphenyl)silyl]-4-oxobutanal has a molecular weight of 282.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(diphenyl)silyl]-4-oxobutanal is sourced from PubChem (CID 10333988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).