1-triphenylsilylbutan-1-one

C22H22OSi — CID 101425352

IUPAC1-triphenylsilylbutan-1-one
SMILESCCCC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OSi/c1-2-12-22(23)24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18H,2,12H2,1H3
InChIKeyUFAQFEIPZCMVIZ-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.07
Rot. Bonds6

About 1-triphenylsilylbutan-1-one

1-triphenylsilylbutan-1-one (PubChem CID 101425352) has the molecular formula C22H22OSi and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-triphenylsilylbutan-1-one.

Molecular Properties

Compound Name1-triphenylsilylbutan-1-one
PubChem CID101425352
Molecular FormulaC22H22OSi
Molecular Weight330.50 g/mol
Exact Mass330.14
IUPAC Name1-triphenylsilylbutan-1-one
SMILESCCCC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OSi/c1-2-12-22(23)24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18H,2,12H2,1H3
InChIKeyUFAQFEIPZCMVIZ-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triphenylsilanol
CID 69925
Vinyltriphenylsilane
CID 87747
Triphenylsilane
CID 69922
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
1,1,1-Trimethyl-2,2,2-triphenyldisilane
CID 74058
(Triphenylsilyl)acetylene
CID 642601
Triphenylsilanethiol
CID 621128
(Acetylsulfanyl)(triphenyl)plumbane
CID 16682799
Triphenylsilicon
CID 6327682
Allyltriphenylsilane
CID 278642
Methyltriphenylsilane
CID 522714

Frequently Asked Questions

What is the IUPAC name of 1-triphenylsilylbutan-1-one?
The IUPAC name of 1-triphenylsilylbutan-1-one (CID 101425352) is 1-triphenylsilylbutan-1-one.
What is the SMILES notation for 1-triphenylsilylbutan-1-one?
The canonical SMILES for 1-triphenylsilylbutan-1-one is CCCC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-triphenylsilylbutan-1-one?
The InChIKey is UFAQFEIPZCMVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OSi/c1-2-12-22(23)24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18H,2,12H2,1H3.
What are the key properties of 1-triphenylsilylbutan-1-one?
1-triphenylsilylbutan-1-one has a molecular weight of 330.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triphenylsilylbutan-1-one is sourced from PubChem (CID 101425352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).