3-trimethylsilyloxyprop-1-en-1-one

C6H12O2Si — CID 175046619

IUPAC3-trimethylsilyloxyprop-1-en-1-one
SMILESC[Si](C)(C)OCC=C=O
InChIInChI=1S/C6H12O2Si/c1-9(2,3)8-6-4-5-7/h4H,6H2,1-3H3
InChIKeyQCHKBAJSQHAHSR-UHFFFAOYSA-N
MW144.25 g/mol
LogP1.23
Rot. Bonds3

About 3-trimethylsilyloxyprop-1-en-1-one

3-trimethylsilyloxyprop-1-en-1-one (PubChem CID 175046619) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is 3-trimethylsilyloxyprop-1-en-1-one.

Molecular Properties

Compound Name3-trimethylsilyloxyprop-1-en-1-one
PubChem CID175046619
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name3-trimethylsilyloxyprop-1-en-1-one
SMILESC[Si](C)(C)OCC=C=O
InChIInChI=1S/C6H12O2Si/c1-9(2,3)8-6-4-5-7/h4H,6H2,1-3H3
InChIKeyQCHKBAJSQHAHSR-UHFFFAOYSA-N
XLogP1.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxyprop-1-en-1-one?
The IUPAC name of 3-trimethylsilyloxyprop-1-en-1-one (CID 175046619) is 3-trimethylsilyloxyprop-1-en-1-one.
What is the SMILES notation for 3-trimethylsilyloxyprop-1-en-1-one?
The canonical SMILES for 3-trimethylsilyloxyprop-1-en-1-one is C[Si](C)(C)OCC=C=O.
What is the InChIKey of 3-trimethylsilyloxyprop-1-en-1-one?
The InChIKey is QCHKBAJSQHAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-9(2,3)8-6-4-5-7/h4H,6H2,1-3H3.
What are the key properties of 3-trimethylsilyloxyprop-1-en-1-one?
3-trimethylsilyloxyprop-1-en-1-one has a molecular weight of 144.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxyprop-1-en-1-one is sourced from PubChem (CID 175046619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).