1-[acetyl(dimethyl)silyl]ethanone

C6H12O2Si — CID 21286237

IUPAC1-[acetyl(dimethyl)silyl]ethanone
SMILESCC(=O)[Si](C)(C)C(C)=O
InChIInChI=1S/C6H12O2Si/c1-5(7)9(3,4)6(2)8/h1-4H3
InChIKeyBPVVQPVNIMOPDS-UHFFFAOYSA-N
MW144.25 g/mol
LogP0.95
Rot. Bonds2

About 1-[acetyl(dimethyl)silyl]ethanone

1-[acetyl(dimethyl)silyl]ethanone (PubChem CID 21286237) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is 1-[acetyl(dimethyl)silyl]ethanone.

Molecular Properties

Compound Name1-[acetyl(dimethyl)silyl]ethanone
PubChem CID21286237
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name1-[acetyl(dimethyl)silyl]ethanone
SMILESCC(=O)[Si](C)(C)C(C)=O
InChIInChI=1S/C6H12O2Si/c1-5(7)9(3,4)6(2)8/h1-4H3
InChIKeyBPVVQPVNIMOPDS-UHFFFAOYSA-N
XLogP0.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[acetyl(dimethyl)silyl]ethanone?
The IUPAC name of 1-[acetyl(dimethyl)silyl]ethanone (CID 21286237) is 1-[acetyl(dimethyl)silyl]ethanone.
What is the SMILES notation for 1-[acetyl(dimethyl)silyl]ethanone?
The canonical SMILES for 1-[acetyl(dimethyl)silyl]ethanone is CC(=O)[Si](C)(C)C(C)=O.
What is the InChIKey of 1-[acetyl(dimethyl)silyl]ethanone?
The InChIKey is BPVVQPVNIMOPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-5(7)9(3,4)6(2)8/h1-4H3.
What are the key properties of 1-[acetyl(dimethyl)silyl]ethanone?
1-[acetyl(dimethyl)silyl]ethanone has a molecular weight of 144.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(dimethyl)silyl]ethanone is sourced from PubChem (CID 21286237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).