1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one

C13H27O2PSi — CID 87506649

IUPAC1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(C(=O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H27O2PSi/c1-12(2,3)10(14)16(17(7,8)9)11(15)13(4,5)6/h1-9H3
InChIKeyAUYAJENRAKHOHW-UHFFFAOYSA-N
MW274.42 g/mol
LogP4.45
Rot. Bonds3

About 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one

1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one (PubChem CID 87506649) has the molecular formula C13H27O2PSi and a molecular weight of 274.42 g/mol. Its IUPAC name is 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one
PubChem CID87506649
Molecular FormulaC13H27O2PSi
Molecular Weight274.42 g/mol
Exact Mass274.15
IUPAC Name1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(C(=O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H27O2PSi/c1-12(2,3)10(14)16(17(7,8)9)11(15)13(4,5)6/h1-9H3
InChIKeyAUYAJENRAKHOHW-UHFFFAOYSA-N
XLogP4.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one (CID 87506649) is 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)P(C(=O)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one?
The InChIKey is AUYAJENRAKHOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O2PSi/c1-12(2,3)10(14)16(17(7,8)9)11(15)13(4,5)6/h1-9H3.
What are the key properties of 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one?
1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one has a molecular weight of 274.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropanoyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 87506649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).