2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one

C18H33BrO4Si2 — CID 58985884

IUPAC2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(Br)o1
InChIInChI=1S/C18H33BrO4Si2/c1-17(2,3)24(7,8)21-12-13-11-14(20)15(16(19)22-13)23-25(9,10)18(4,5)6/h11H,12H2,1-10H3
InChIKeyYKCMGHVUGDROAS-UHFFFAOYSA-N
MW449.53 g/mol
LogP6.31
Rot. Bonds5

About 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one

2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one (PubChem CID 58985884) has the molecular formula C18H33BrO4Si2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one.

Molecular Properties

Compound Name2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
PubChem CID58985884
Molecular FormulaC18H33BrO4Si2
Molecular Weight449.53 g/mol
Exact Mass448.11
IUPAC Name2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(Br)o1
InChIInChI=1S/C18H33BrO4Si2/c1-17(2,3)24(7,8)21-12-13-11-14(20)15(16(19)22-13)23-25(9,10)18(4,5)6/h11H,12H2,1-10H3
InChIKeyYKCMGHVUGDROAS-UHFFFAOYSA-N
XLogP6.31
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)-
CID 41475
5-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
CID 22937915
3-[Tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one
CID 58985889
2-Bromo-3-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-pyran-4-one
CID 131728523
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one
CID 140824928
5-[Tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one
CID 152719551
2-Bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one
CID 173032309
3-[Tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclopropylpyran-4-one
CID 177208961

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The IUPAC name of 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one (CID 58985884) is 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one.
What is the SMILES notation for 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The canonical SMILES for 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one is CC(C)(C)[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)c(Br)o1.
What is the InChIKey of 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
The InChIKey is YKCMGHVUGDROAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33BrO4Si2/c1-17(2,3)24(7,8)21-12-13-11-14(20)15(16(19)22-13)23-25(9,10)18(4,5)6/h11H,12H2,1-10H3.
What are the key properties of 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one?
2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one has a molecular weight of 449.53 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one is sourced from PubChem (CID 58985884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).