2-bromo-1-trimethylsilylbutan-1-one

C7H15BrOSi — CID 14532931

IUPAC2-bromo-1-trimethylsilylbutan-1-one
SMILESCCC(Br)C(=O)[Si](C)(C)C
InChIInChI=1S/C7H15BrOSi/c1-5-6(8)7(9)10(2,3)4/h6H,5H2,1-4H3
InChIKeyKDHIWJBOPVGUOE-UHFFFAOYSA-N
MW223.19 g/mol
LogP2.61
Rot. Bonds3

About 2-bromo-1-trimethylsilylbutan-1-one

2-bromo-1-trimethylsilylbutan-1-one (PubChem CID 14532931) has the molecular formula C7H15BrOSi and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-bromo-1-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name2-bromo-1-trimethylsilylbutan-1-one
PubChem CID14532931
Molecular FormulaC7H15BrOSi
Molecular Weight223.19 g/mol
Exact Mass222.01
IUPAC Name2-bromo-1-trimethylsilylbutan-1-one
SMILESCCC(Br)C(=O)[Si](C)(C)C
InChIInChI=1S/C7H15BrOSi/c1-5-6(8)7(9)10(2,3)4/h6H,5H2,1-4H3
InChIKeyKDHIWJBOPVGUOE-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 52.61
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 2-bromo-1-trimethylsilylbutan-1-one?
The IUPAC name of 2-bromo-1-trimethylsilylbutan-1-one (CID 14532931) is 2-bromo-1-trimethylsilylbutan-1-one.
What is the SMILES notation for 2-bromo-1-trimethylsilylbutan-1-one?
The canonical SMILES for 2-bromo-1-trimethylsilylbutan-1-one is CCC(Br)C(=O)[Si](C)(C)C.
What is the InChIKey of 2-bromo-1-trimethylsilylbutan-1-one?
The InChIKey is KDHIWJBOPVGUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrOSi/c1-5-6(8)7(9)10(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 2-bromo-1-trimethylsilylbutan-1-one?
2-bromo-1-trimethylsilylbutan-1-one has a molecular weight of 223.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-trimethylsilylbutan-1-one is sourced from PubChem (CID 14532931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).