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

C14H24O5Si — CID 87650587

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one
SMILESCOC(OC)c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C14H24O5Si/c1-14(2,3)20(6,7)19-12-9-18-11(8-10(12)15)13(16-4)17-5/h8-9,13H,1-7H3
InChIKeyPYQSGNLBLDAKET-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.32
Rot. Bonds5

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

5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one (PubChem CID 87650587) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one
PubChem CID87650587
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one
SMILESCOC(OC)c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C14H24O5Si/c1-14(2,3)20(6,7)19-12-9-18-11(8-10(12)15)13(16-4)17-5/h8-9,13H,1-7H3
InChIKeyPYQSGNLBLDAKET-UHFFFAOYSA-N
XLogP3.32
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one (CID 87650587) is 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one is COC(OC)c1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one?
The InChIKey is PYQSGNLBLDAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-14(2,3)20(6,7)19-12-9-18-11(8-10(12)15)13(16-4)17-5/h8-9,13H,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one?
5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one has a molecular weight of 300.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one is sourced from PubChem (CID 87650587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).