1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one

C12H27AsOSi — CID 12633105

IUPAC1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[As](C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H27AsOSi/c1-11(2,3)10(14)13(12(4,5)6)15(7,8)9/h1-9H3
InChIKeyXKOSTMYAINXHSH-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.85
Rot. Bonds2

About 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one

1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one (PubChem CID 12633105) has the molecular formula C12H27AsOSi and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one
PubChem CID12633105
Molecular FormulaC12H27AsOSi
Molecular Weight290.36 g/mol
Exact Mass290.10
IUPAC Name1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[As](C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H27AsOSi/c1-11(2,3)10(14)13(12(4,5)6)15(7,8)9/h1-9H3
InChIKeyXKOSTMYAINXHSH-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.85
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(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one (CID 12633105) is 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)[As](C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one?
The InChIKey is XKOSTMYAINXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27AsOSi/c1-11(2,3)10(14)13(12(4,5)6)15(7,8)9/h1-9H3.
What are the key properties of 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one?
1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one has a molecular weight of 290.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(trimethylsilyl)arsanyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 12633105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).