1-[diacetyl(iodomethyl)silyl]ethanone

C7H11IO3Si — CID 89427608

IUPAC1-[diacetyl(iodomethyl)silyl]ethanone
SMILESCC(=O)[Si](CI)(C(C)=O)C(C)=O
InChIInChI=1S/C7H11IO3Si/c1-5(9)12(4-8,6(2)10)7(3)11/h4H2,1-3H3
InChIKeyNBTKUFSQSPOOPM-UHFFFAOYSA-N
MW298.15 g/mol
LogP0.79
Rot. Bonds4

About 1-[diacetyl(iodomethyl)silyl]ethanone

1-[diacetyl(iodomethyl)silyl]ethanone (PubChem CID 89427608) has the molecular formula C7H11IO3Si and a molecular weight of 298.15 g/mol. Its IUPAC name is 1-[diacetyl(iodomethyl)silyl]ethanone.

Molecular Properties

Compound Name1-[diacetyl(iodomethyl)silyl]ethanone
PubChem CID89427608
Molecular FormulaC7H11IO3Si
Molecular Weight298.15 g/mol
Exact Mass297.95
IUPAC Name1-[diacetyl(iodomethyl)silyl]ethanone
SMILESCC(=O)[Si](CI)(C(C)=O)C(C)=O
InChIInChI=1S/C7H11IO3Si/c1-5(9)12(4-8,6(2)10)7(3)11/h4H2,1-3H3
InChIKeyNBTKUFSQSPOOPM-UHFFFAOYSA-N
XLogP0.79
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

argon;propan-2-one
CID 19604749
1-triethylsilylethanone
CID 14400427
(2,2-dichloro-3-iodopropyl) acetate
CID 146618168
carbonic acid;iodoethane
CID 161091795
2-iodoacetyl chloride
CID 3084680
1-[acetyl(dimethyl)silyl]ethanone
CID 21286237
S-methyl 2-iodoethanethioate
CID 15145875
(3-iodo-2-oxopropyl) acetate
CID 54597592
2-iodoacetamide;hydroiodide
CID 172817910
lithium 2-iodoacetate
CID 23677321
CID 20705480
CID 20705480
3-deuteriobutan-2-one
CID 159540848

Frequently Asked Questions

What is the IUPAC name of 1-[diacetyl(iodomethyl)silyl]ethanone?
The IUPAC name of 1-[diacetyl(iodomethyl)silyl]ethanone (CID 89427608) is 1-[diacetyl(iodomethyl)silyl]ethanone.
What is the SMILES notation for 1-[diacetyl(iodomethyl)silyl]ethanone?
The canonical SMILES for 1-[diacetyl(iodomethyl)silyl]ethanone is CC(=O)[Si](CI)(C(C)=O)C(C)=O.
What is the InChIKey of 1-[diacetyl(iodomethyl)silyl]ethanone?
The InChIKey is NBTKUFSQSPOOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO3Si/c1-5(9)12(4-8,6(2)10)7(3)11/h4H2,1-3H3.
What are the key properties of 1-[diacetyl(iodomethyl)silyl]ethanone?
1-[diacetyl(iodomethyl)silyl]ethanone has a molecular weight of 298.15 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diacetyl(iodomethyl)silyl]ethanone is sourced from PubChem (CID 89427608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).