1-trimethylsilylethanone

C5H12OSi — CID 638116

IUPAC1-trimethylsilylethanone
SMILESCC(=O)[Si](C)(C)C
InChIInChI=1S/C5H12OSi/c1-5(6)7(2,3)4/h1-4H3
InChIKeyREDWSDBFBCDPNI-UHFFFAOYSA-N
MW116.24 g/mol
LogP1.45
Rot. Bonds1

About 1-trimethylsilylethanone

1-trimethylsilylethanone (PubChem CID 638116) has the molecular formula C5H12OSi and a molecular weight of 116.24 g/mol. Its IUPAC name is 1-trimethylsilylethanone.

Molecular Properties

Compound Name1-trimethylsilylethanone
PubChem CID638116
Molecular FormulaC5H12OSi
Molecular Weight116.24 g/mol
Exact Mass116.07
IUPAC Name1-trimethylsilylethanone
SMILESCC(=O)[Si](C)(C)C
InChIInChI=1S/C5H12OSi/c1-5(6)7(2,3)4/h1-4H3
InChIKeyREDWSDBFBCDPNI-UHFFFAOYSA-N
XLogP1.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.24
LogP ≤ 51.45
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-trimethylsilylethanone?
The IUPAC name of 1-trimethylsilylethanone (CID 638116) is 1-trimethylsilylethanone.
What is the SMILES notation for 1-trimethylsilylethanone?
The canonical SMILES for 1-trimethylsilylethanone is CC(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylethanone?
The InChIKey is REDWSDBFBCDPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OSi/c1-5(6)7(2,3)4/h1-4H3.
What are the key properties of 1-trimethylsilylethanone?
1-trimethylsilylethanone has a molecular weight of 116.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylethanone is sourced from PubChem (CID 638116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).