1,1-dibromo-3-trimethylsilylpropan-2-one

C6H12Br2OSi — CID 12501089

IUPAC1,1-dibromo-3-trimethylsilylpropan-2-one
SMILESC[Si](C)(C)CC(=O)C(Br)Br
InChIInChI=1S/C6H12Br2OSi/c1-10(2,3)4-5(9)6(7)8/h6H,4H2,1-3H3
InChIKeyUVLCFASYVCMKIK-UHFFFAOYSA-N
MW288.06 g/mol
LogP3.01
Rot. Bonds3

About 1,1-dibromo-3-trimethylsilylpropan-2-one

1,1-dibromo-3-trimethylsilylpropan-2-one (PubChem CID 12501089) has the molecular formula C6H12Br2OSi and a molecular weight of 288.06 g/mol. Its IUPAC name is 1,1-dibromo-3-trimethylsilylpropan-2-one.

Molecular Properties

Compound Name1,1-dibromo-3-trimethylsilylpropan-2-one
PubChem CID12501089
Molecular FormulaC6H12Br2OSi
Molecular Weight288.06 g/mol
Exact Mass285.90
IUPAC Name1,1-dibromo-3-trimethylsilylpropan-2-one
SMILESC[Si](C)(C)CC(=O)C(Br)Br
InChIInChI=1S/C6H12Br2OSi/c1-10(2,3)4-5(9)6(7)8/h6H,4H2,1-3H3
InChIKeyUVLCFASYVCMKIK-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3-trimethylsilylpropan-2-one?
The IUPAC name of 1,1-dibromo-3-trimethylsilylpropan-2-one (CID 12501089) is 1,1-dibromo-3-trimethylsilylpropan-2-one.
What is the SMILES notation for 1,1-dibromo-3-trimethylsilylpropan-2-one?
The canonical SMILES for 1,1-dibromo-3-trimethylsilylpropan-2-one is C[Si](C)(C)CC(=O)C(Br)Br.
What is the InChIKey of 1,1-dibromo-3-trimethylsilylpropan-2-one?
The InChIKey is UVLCFASYVCMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2OSi/c1-10(2,3)4-5(9)6(7)8/h6H,4H2,1-3H3.
What are the key properties of 1,1-dibromo-3-trimethylsilylpropan-2-one?
1,1-dibromo-3-trimethylsilylpropan-2-one has a molecular weight of 288.06 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-trimethylsilylpropan-2-one is sourced from PubChem (CID 12501089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).