2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one

C12H25BrO3Si — CID 140665528

IUPAC2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one
SMILESCCO[Si](C)(CCCC(=O)C(C)(C)Br)OCC
InChIInChI=1S/C12H25BrO3Si/c1-6-15-17(5,16-7-2)10-8-9-11(14)12(3,4)13/h6-10H2,1-5H3
InChIKeyUPNWCXZMTVMIMU-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.65
Rot. Bonds9

About 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one

2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one (PubChem CID 140665528) has the molecular formula C12H25BrO3Si and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one.

Molecular Properties

Compound Name2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one
PubChem CID140665528
Molecular FormulaC12H25BrO3Si
Molecular Weight325.32 g/mol
Exact Mass324.08
IUPAC Name2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one
SMILESCCO[Si](C)(CCCC(=O)C(C)(C)Br)OCC
InChIInChI=1S/C12H25BrO3Si/c1-6-15-17(5,16-7-2)10-8-9-11(14)12(3,4)13/h6-10H2,1-5H3
InChIKeyUPNWCXZMTVMIMU-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.65
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'}

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Related Compounds

bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate
CID 88852298
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
tert-butyl-[3-[diethoxy(methyl)silyl]propoxy]-dimethylsilane
CID 86070963
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852109
diethoxy-methyl-undecylsilane
CID 140884401
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
CID 22065744
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
CID 165005930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one?
The IUPAC name of 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one (CID 140665528) is 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one.
What is the SMILES notation for 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one?
The canonical SMILES for 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one is CCO[Si](C)(CCCC(=O)C(C)(C)Br)OCC.
What is the InChIKey of 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one?
The InChIKey is UPNWCXZMTVMIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrO3Si/c1-6-15-17(5,16-7-2)10-8-9-11(14)12(3,4)13/h6-10H2,1-5H3.
What are the key properties of 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one?
2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one has a molecular weight of 325.32 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[diethoxy(methyl)silyl]-2-methylhexan-3-one is sourced from PubChem (CID 140665528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).