2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one

C12H20O4Si — CID 11448240

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O)co1
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-7-9-6-10(13)11(14)8-15-9/h6,8,14H,7H2,1-5H3
InChIKeyITWWQOLWJZRPHH-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.87
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one (PubChem CID 11448240) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one
PubChem CID11448240
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(O)co1
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-7-9-6-10(13)11(14)8-15-9/h6,8,14H,7H2,1-5H3
InChIKeyITWWQOLWJZRPHH-UHFFFAOYSA-N
XLogP2.87
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one (CID 11448240) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one is CC(C)(C)[Si](C)(C)OCc1cc(=O)c(O)co1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one?
The InChIKey is ITWWQOLWJZRPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-7-9-6-10(13)11(14)8-15-9/h6,8,14H,7H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one has a molecular weight of 256.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 11448240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).