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

C13H22O4Si — CID 140824928

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one
SMILESCOc1coc(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C13H22O4Si/c1-13(2,3)18(5,6)17-8-10-7-11(14)12(15-4)9-16-10/h7,9H,8H2,1-6H3
InChIKeyLGKSCNMCFYATPT-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.17
Rot. Bonds4

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

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one (PubChem CID 140824928) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one
PubChem CID140824928
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one
SMILESCOc1coc(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C13H22O4Si/c1-13(2,3)18(5,6)17-8-10-7-11(14)12(15-4)9-16-10/h7,9H,8H2,1-6H3
InChIKeyLGKSCNMCFYATPT-UHFFFAOYSA-N
XLogP3.17
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)-
CID 41475
3-(tert-Butyldimethyl)silyloxy-2-methyl-pyran-4-one
CID 58083656
2,3-Dimethoxy-5-trimethylsilylcyclohexa-2,5-diene-1,4-dione
CID 85574262
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one
CID 11448240
6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)pyran-4-one
CID 22937909
5-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
CID 22937915
5-[Tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one
CID 23077529
2-(((tert-Butyldimethylsilyl)oxy)methyl)-3-hydroxy-6-methyl-4H-pyran-4-one
CID 57978416
5-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyran-4-one
CID 58859155
2-Bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
CID 58985884
3-[Tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one
CID 58985889
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]furan-3-one
CID 70050539

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one (CID 140824928) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one is COc1coc(CO[Si](C)(C)C(C)(C)C)cc1=O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one?
The InChIKey is LGKSCNMCFYATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-13(2,3)18(5,6)17-8-10-7-11(14)12(15-4)9-16-10/h7,9H,8H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one has a molecular weight of 270.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one is sourced from PubChem (CID 140824928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).