1-(tert-butyl-methyl-phenylsilyl)ethanone

C13H20OSi — CID 14642901

IUPAC1-(tert-butyl-methyl-phenylsilyl)ethanone
SMILESCC(=O)[Si](C)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H20OSi/c1-11(14)15(5,13(2,3)4)12-9-7-6-8-10-12/h6-10H,1-5H3
InChIKeyFIKLHTYWOBNOLJ-UHFFFAOYSA-N
MW220.39 g/mol
LogP2.90
Rot. Bonds2

About 1-(tert-butyl-methyl-phenylsilyl)ethanone

1-(tert-butyl-methyl-phenylsilyl)ethanone (PubChem CID 14642901) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is 1-(tert-butyl-methyl-phenylsilyl)ethanone.

Molecular Properties

Compound Name1-(tert-butyl-methyl-phenylsilyl)ethanone
PubChem CID14642901
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name1-(tert-butyl-methyl-phenylsilyl)ethanone
SMILESCC(=O)[Si](C)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H20OSi/c1-11(14)15(5,13(2,3)4)12-9-7-6-8-10-12/h6-10H,1-5H3
InChIKeyFIKLHTYWOBNOLJ-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 52.90
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 1-(tert-butyl-methyl-phenylsilyl)ethanone?
The IUPAC name of 1-(tert-butyl-methyl-phenylsilyl)ethanone (CID 14642901) is 1-(tert-butyl-methyl-phenylsilyl)ethanone.
What is the SMILES notation for 1-(tert-butyl-methyl-phenylsilyl)ethanone?
The canonical SMILES for 1-(tert-butyl-methyl-phenylsilyl)ethanone is CC(=O)[Si](C)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-(tert-butyl-methyl-phenylsilyl)ethanone?
The InChIKey is FIKLHTYWOBNOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi/c1-11(14)15(5,13(2,3)4)12-9-7-6-8-10-12/h6-10H,1-5H3.
What are the key properties of 1-(tert-butyl-methyl-phenylsilyl)ethanone?
1-(tert-butyl-methyl-phenylsilyl)ethanone has a molecular weight of 220.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butyl-methyl-phenylsilyl)ethanone is sourced from PubChem (CID 14642901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).