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

C6H12Br2OSi — CID 12736509

IUPAC1,3-dibromo-1-trimethylsilylpropan-2-one
SMILESC[Si](C)(C)C(Br)C(=O)CBr
InChIInChI=1S/C6H12Br2OSi/c1-10(2,3)6(8)5(9)4-7/h6H,4H2,1-3H3
InChIKeyXJKHFSRNHJYWPD-UHFFFAOYSA-N
MW288.06 g/mol
LogP2.59
Rot. Bonds3

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

1,3-dibromo-1-trimethylsilylpropan-2-one (PubChem CID 12736509) has the molecular formula C6H12Br2OSi and a molecular weight of 288.06 g/mol. Its IUPAC name is 1,3-dibromo-1-trimethylsilylpropan-2-one.

Molecular Properties

Compound Name1,3-dibromo-1-trimethylsilylpropan-2-one
PubChem CID12736509
Molecular FormulaC6H12Br2OSi
Molecular Weight288.06 g/mol
Exact Mass285.90
IUPAC Name1,3-dibromo-1-trimethylsilylpropan-2-one
SMILESC[Si](C)(C)C(Br)C(=O)CBr
InChIInChI=1S/C6H12Br2OSi/c1-10(2,3)6(8)5(9)4-7/h6H,4H2,1-3H3
InChIKeyXJKHFSRNHJYWPD-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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 1,3-dibromo-1-trimethylsilylpropan-2-one?
The IUPAC name of 1,3-dibromo-1-trimethylsilylpropan-2-one (CID 12736509) is 1,3-dibromo-1-trimethylsilylpropan-2-one.
What is the SMILES notation for 1,3-dibromo-1-trimethylsilylpropan-2-one?
The canonical SMILES for 1,3-dibromo-1-trimethylsilylpropan-2-one is C[Si](C)(C)C(Br)C(=O)CBr.
What is the InChIKey of 1,3-dibromo-1-trimethylsilylpropan-2-one?
The InChIKey is XJKHFSRNHJYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2OSi/c1-10(2,3)6(8)5(9)4-7/h6H,4H2,1-3H3.
What are the key properties of 1,3-dibromo-1-trimethylsilylpropan-2-one?
1,3-dibromo-1-trimethylsilylpropan-2-one has a molecular weight of 288.06 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1-trimethylsilylpropan-2-one is sourced from PubChem (CID 12736509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).