2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one

C16H26O6Si — CID 175047820

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)CO1.O=C1C=CC(O)OC1
InChIInChI=1S/C11H20O3Si.C5H6O3/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10;6-4-1-2-5(7)8-3-4/h6-7,10H,8H2,1-5H3;1-2,5,7H,3H2
InChIKeyUORVTBSIVCRORU-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.95
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one

2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one (PubChem CID 175047820) has the molecular formula C16H26O6Si and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one
PubChem CID175047820
Molecular FormulaC16H26O6Si
Molecular Weight342.46 g/mol
Exact Mass342.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)CO1.O=C1C=CC(O)OC1
InChIInChI=1S/C11H20O3Si.C5H6O3/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10;6-4-1-2-5(7)8-3-4/h6-7,10H,8H2,1-5H3;1-2,5,7H,3H2
InChIKeyUORVTBSIVCRORU-UHFFFAOYSA-N
XLogP1.95
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one (CID 175047820) is 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one is CC(C)(C)[Si](C)(C)OC1C=CC(=O)CO1.O=C1C=CC(O)OC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one?
The InChIKey is UORVTBSIVCRORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si.C5H6O3/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10;6-4-1-2-5(7)8-3-4/h6-7,10H,8H2,1-5H3;1-2,5,7H,3H2.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one?
2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one has a molecular weight of 342.46 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one;2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 175047820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).