1-trimethylsilylpropan-2-one

C6H14OSi — CID 12726179

IUPAC1-trimethylsilylpropan-2-one
SMILESCC(=O)C[Si](C)(C)C
InChIInChI=1S/C6H14OSi/c1-6(7)5-8(2,3)4/h5H2,1-4H3
InChIKeyNNWLMTLHOGRONX-UHFFFAOYSA-N
MW130.26 g/mol
LogP1.91
Rot. Bonds2

About 1-trimethylsilylpropan-2-one

1-trimethylsilylpropan-2-one (PubChem CID 12726179) has the molecular formula C6H14OSi and a molecular weight of 130.26 g/mol. Its IUPAC name is 1-trimethylsilylpropan-2-one.

Molecular Properties

Compound Name1-trimethylsilylpropan-2-one
PubChem CID12726179
Molecular FormulaC6H14OSi
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name1-trimethylsilylpropan-2-one
SMILESCC(=O)C[Si](C)(C)C
InChIInChI=1S/C6H14OSi/c1-6(7)5-8(2,3)4/h5H2,1-4H3
InChIKeyNNWLMTLHOGRONX-UHFFFAOYSA-N
XLogP1.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 51.91
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-trimethylsilylpropan-2-one?
The IUPAC name of 1-trimethylsilylpropan-2-one (CID 12726179) is 1-trimethylsilylpropan-2-one.
What is the SMILES notation for 1-trimethylsilylpropan-2-one?
The canonical SMILES for 1-trimethylsilylpropan-2-one is CC(=O)C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylpropan-2-one?
The InChIKey is NNWLMTLHOGRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OSi/c1-6(7)5-8(2,3)4/h5H2,1-4H3.
What are the key properties of 1-trimethylsilylpropan-2-one?
1-trimethylsilylpropan-2-one has a molecular weight of 130.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylpropan-2-one is sourced from PubChem (CID 12726179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).