6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one

C12H20O4Si — CID 54734627

IUPAC6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one
SMILESCCCC[Si](C)(C)OCc1cc(O)cc(=O)o1
InChIInChI=1S/C12H20O4Si/c1-4-5-6-17(2,3)15-9-11-7-10(13)8-12(14)16-11/h7-8,13H,4-6,9H2,1-3H3
InChIKeyKFAFMMPDQLLAQA-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.87
Rot. Bonds6

About 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one

6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one (PubChem CID 54734627) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one
PubChem CID54734627
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one
SMILESCCCC[Si](C)(C)OCc1cc(O)cc(=O)o1
InChIInChI=1S/C12H20O4Si/c1-4-5-6-17(2,3)15-9-11-7-10(13)8-12(14)16-11/h7-8,13H,4-6,9H2,1-3H3
InChIKeyKFAFMMPDQLLAQA-UHFFFAOYSA-N
XLogP2.87
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.87
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-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one?
The IUPAC name of 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one (CID 54734627) is 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one.
What is the SMILES notation for 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one?
The canonical SMILES for 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one is CCCC[Si](C)(C)OCc1cc(O)cc(=O)o1.
What is the InChIKey of 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one?
The InChIKey is KFAFMMPDQLLAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-4-5-6-17(2,3)15-9-11-7-10(13)8-12(14)16-11/h7-8,13H,4-6,9H2,1-3H3.
What are the key properties of 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one?
6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one has a molecular weight of 256.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one is sourced from PubChem (CID 54734627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).