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

C13H18O3Si — CID 54711936

IUPAC6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one
SMILESCC(C)(C)[Si](C)(C)C#Cc1cc(O)cc(=O)o1
InChIInChI=1S/C13H18O3Si/c1-13(2,3)17(4,5)7-6-11-8-10(14)9-12(15)16-11/h8-9,14H,1-5H3
InChIKeyJTZPHHOOYZZRRN-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.74
Rot. Bonds

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

6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one (PubChem CID 54711936) has the molecular formula C13H18O3Si and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one
PubChem CID54711936
Molecular FormulaC13H18O3Si
Molecular Weight250.37 g/mol
Exact Mass250.10
IUPAC Name6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one
SMILESCC(C)(C)[Si](C)(C)C#Cc1cc(O)cc(=O)o1
InChIInChI=1S/C13H18O3Si/c1-13(2,3)17(4,5)7-6-11-8-10(14)9-12(15)16-11/h8-9,14H,1-5H3
InChIKeyJTZPHHOOYZZRRN-UHFFFAOYSA-N
XLogP2.74
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one?
The IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one (CID 54711936) is 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one.
What is the SMILES notation for 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one?
The canonical SMILES for 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one is CC(C)(C)[Si](C)(C)C#Cc1cc(O)cc(=O)o1.
What is the InChIKey of 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one?
The InChIKey is JTZPHHOOYZZRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3Si/c1-13(2,3)17(4,5)7-6-11-8-10(14)9-12(15)16-11/h8-9,14H,1-5H3.
What are the key properties of 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one?
6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one has a molecular weight of 250.37 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one is sourced from PubChem (CID 54711936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).