5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one

C12H20O4Si — CID 58859155

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one
SMILESCC(C)(C)[Si](C)(C)Oc1coc(CO)cc1=O
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-11-8-15-9(7-13)6-10(11)14/h6,8,13H,7H2,1-5H3
InChIKeyJAHZEIRVNPFZRZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.52
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one

5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one (PubChem CID 58859155) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one
PubChem CID58859155
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one
SMILESCC(C)(C)[Si](C)(C)Oc1coc(CO)cc1=O
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-11-8-15-9(7-13)6-10(11)14/h6,8,13H,7H2,1-5H3
InChIKeyJAHZEIRVNPFZRZ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one (CID 58859155) is 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one is CC(C)(C)[Si](C)(C)Oc1coc(CO)cc1=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one?
The InChIKey is JAHZEIRVNPFZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-11-8-15-9(7-13)6-10(11)14/h6,8,13H,7H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one?
5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one has a molecular weight of 256.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 58859155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).