3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one

C11H23BrOSi — CID 12607724

IUPAC3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one
SMILESCC(=O)C(Br)(CC(C)C)C[Si](C)(C)C
InChIInChI=1S/C11H23BrOSi/c1-9(2)7-11(12,10(3)13)8-14(4,5)6/h9H,7-8H2,1-6H3
InChIKeyFOCFQXVKEKCAIG-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.09
Rot. Bonds5

About 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one

3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one (PubChem CID 12607724) has the molecular formula C11H23BrOSi and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one.

Molecular Properties

Compound Name3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one
PubChem CID12607724
Molecular FormulaC11H23BrOSi
Molecular Weight279.29 g/mol
Exact Mass278.07
IUPAC Name3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one
SMILESCC(=O)C(Br)(CC(C)C)C[Si](C)(C)C
InChIInChI=1S/C11H23BrOSi/c1-9(2)7-11(12,10(3)13)8-14(4,5)6/h9H,7-8H2,1-6H3
InChIKeyFOCFQXVKEKCAIG-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.09
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 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one?
The IUPAC name of 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one (CID 12607724) is 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one.
What is the SMILES notation for 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one?
The canonical SMILES for 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one is CC(=O)C(Br)(CC(C)C)C[Si](C)(C)C.
What is the InChIKey of 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one?
The InChIKey is FOCFQXVKEKCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrOSi/c1-9(2)7-11(12,10(3)13)8-14(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one?
3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one has a molecular weight of 279.29 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-3-(trimethylsilylmethyl)hexan-2-one is sourced from PubChem (CID 12607724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).