4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one

C18H22OSi — CID 584559

IUPAC4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H22OSi/c1-15(19)14-18(16-10-6-4-7-11-16)20(2,3)17-12-8-5-9-13-17/h4-13,18H,14H2,1-3H3
InChIKeyFVPRRRXVCNWURJ-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.90
Rot. Bonds5

About 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one

4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one (PubChem CID 584559) has the molecular formula C18H22OSi and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one
PubChem CID584559
Molecular FormulaC18H22OSi
Molecular Weight282.46 g/mol
Exact Mass282.14
IUPAC Name4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H22OSi/c1-15(19)14-18(16-10-6-4-7-11-16)20(2,3)17-12-8-5-9-13-17/h4-13,18H,14H2,1-3H3
InChIKeyFVPRRRXVCNWURJ-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one?
The IUPAC name of 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one (CID 584559) is 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one is CC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one?
The InChIKey is FVPRRRXVCNWURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OSi/c1-15(19)14-18(16-10-6-4-7-11-16)20(2,3)17-12-8-5-9-13-17/h4-13,18H,14H2,1-3H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one?
4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one has a molecular weight of 282.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-one is sourced from PubChem (CID 584559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).