1-[methyl(diphenyl)silyl]butan-1-one

C17H20OSi — CID 10587992

IUPAC1-[methyl(diphenyl)silyl]butan-1-one
SMILESCCCC(=O)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20OSi/c1-3-10-17(18)19(2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h4-9,11-14H,3,10H2,1-2H3
InChIKeyIBHYZOOKJQSFEC-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.79
Rot. Bonds5

About 1-[methyl(diphenyl)silyl]butan-1-one

1-[methyl(diphenyl)silyl]butan-1-one (PubChem CID 10587992) has the molecular formula C17H20OSi and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[methyl(diphenyl)silyl]butan-1-one.

Molecular Properties

Compound Name1-[methyl(diphenyl)silyl]butan-1-one
PubChem CID10587992
Molecular FormulaC17H20OSi
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name1-[methyl(diphenyl)silyl]butan-1-one
SMILESCCCC(=O)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20OSi/c1-3-10-17(18)19(2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h4-9,11-14H,3,10H2,1-2H3
InChIKeyIBHYZOOKJQSFEC-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.79
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-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
4-[methyl(diphenyl)silyl]-4-oxobutanal
CID 10333988
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
1-triphenylsilyloxypentan-2-one
CID 18622623
methanethiol;1-phenylbutan-1-one
CID 143799522
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
1-[dimethyl(phenyl)silyl]-3-trimethylsilylpropan-1-one
CID 101379873
pentan-2-one;1-phenylethanone
CID 142883835
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
hexa-1,2-dien-3-yl-dimethyl-phenylsilane
CID 11736076
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(diphenyl)silyl]butan-1-one?
The IUPAC name of 1-[methyl(diphenyl)silyl]butan-1-one (CID 10587992) is 1-[methyl(diphenyl)silyl]butan-1-one.
What is the SMILES notation for 1-[methyl(diphenyl)silyl]butan-1-one?
The canonical SMILES for 1-[methyl(diphenyl)silyl]butan-1-one is CCCC(=O)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[methyl(diphenyl)silyl]butan-1-one?
The InChIKey is IBHYZOOKJQSFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OSi/c1-3-10-17(18)19(2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h4-9,11-14H,3,10H2,1-2H3.
What are the key properties of 1-[methyl(diphenyl)silyl]butan-1-one?
1-[methyl(diphenyl)silyl]butan-1-one has a molecular weight of 268.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(diphenyl)silyl]butan-1-one is sourced from PubChem (CID 10587992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).