6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one

C12H22O4Si — CID 57386215

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1(O)C=CC(=O)CO1
InChIInChI=1S/C12H22O4Si/c1-11(2,3)17(4,5)16-9-12(14)7-6-10(13)8-15-12/h6-7,14H,8-9H2,1-5H3
InChIKeyPOAXBROYVZPGGT-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.85
Rot. Bonds3

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one (PubChem CID 57386215) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one
PubChem CID57386215
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1(O)C=CC(=O)CO1
InChIInChI=1S/C12H22O4Si/c1-11(2,3)17(4,5)16-9-12(14)7-6-10(13)8-15-12/h6-7,14H,8-9H2,1-5H3
InChIKeyPOAXBROYVZPGGT-UHFFFAOYSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.85
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 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one (CID 57386215) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one is CC(C)(C)[Si](C)(C)OCC1(O)C=CC(=O)CO1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one?
The InChIKey is POAXBROYVZPGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-11(2,3)17(4,5)16-9-12(14)7-6-10(13)8-15-12/h6-7,14H,8-9H2,1-5H3.
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one has a molecular weight of 258.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypyran-3-one is sourced from PubChem (CID 57386215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).