6-(2-trimethylsilylethynyl)pyran-2-one

C10H12O2Si — CID 11148228

IUPAC6-(2-trimethylsilylethynyl)pyran-2-one
SMILESC[Si](C)(C)C#Cc1cccc(=O)o1
InChIInChI=1S/C10H12O2Si/c1-13(2,3)8-7-9-5-4-6-10(11)12-9/h4-6H,1-3H3
InChIKeyXNTXGHQSSLLHPR-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.87
Rot. Bonds

About 6-(2-trimethylsilylethynyl)pyran-2-one

6-(2-trimethylsilylethynyl)pyran-2-one (PubChem CID 11148228) has the molecular formula C10H12O2Si and a molecular weight of 192.29 g/mol. Its IUPAC name is 6-(2-trimethylsilylethynyl)pyran-2-one.

Molecular Properties

Compound Name6-(2-trimethylsilylethynyl)pyran-2-one
PubChem CID11148228
Molecular FormulaC10H12O2Si
Molecular Weight192.29 g/mol
Exact Mass192.06
IUPAC Name6-(2-trimethylsilylethynyl)pyran-2-one
SMILESC[Si](C)(C)C#Cc1cccc(=O)o1
InChIInChI=1S/C10H12O2Si/c1-13(2,3)8-7-9-5-4-6-10(11)12-9/h4-6H,1-3H3
InChIKeyXNTXGHQSSLLHPR-UHFFFAOYSA-N
XLogP1.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Matricaria lactone
CID 6277481
6-Penta-1,3-diynylpyran-2-one
CID 265580
6-[(E)-prop-1-enyl]-pyran-2-one
CID 24972239
(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one
CID 6475136
6-Prop-1-enylpyran-2-one
CID 74377084
2(5H)-Furanone, 5-(4-hexen-2-ynylidene)-
CID 90896
(5E)-5-[(Z)-hex-4-en-2-ynylidene]furan-2-one
CID 92467539
Dayaolingzhilactone B
CID 146683527
6-(hexynyl)-2(2H)-pyranone
CID 24203137
(5Z)-5-[(E)-3-trimethylsilylprop-2-enylidene]furan-2-one
CID 11194895
6-Methyl-4-trimethylsilyloxypyran-2-one
CID 13679171
Lachnophyllum lactone
CID 5380632

Frequently Asked Questions

What is the IUPAC name of 6-(2-trimethylsilylethynyl)pyran-2-one?
The IUPAC name of 6-(2-trimethylsilylethynyl)pyran-2-one (CID 11148228) is 6-(2-trimethylsilylethynyl)pyran-2-one.
What is the SMILES notation for 6-(2-trimethylsilylethynyl)pyran-2-one?
The canonical SMILES for 6-(2-trimethylsilylethynyl)pyran-2-one is C[Si](C)(C)C#Cc1cccc(=O)o1.
What is the InChIKey of 6-(2-trimethylsilylethynyl)pyran-2-one?
The InChIKey is XNTXGHQSSLLHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2Si/c1-13(2,3)8-7-9-5-4-6-10(11)12-9/h4-6H,1-3H3.
What are the key properties of 6-(2-trimethylsilylethynyl)pyran-2-one?
6-(2-trimethylsilylethynyl)pyran-2-one has a molecular weight of 192.29 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-trimethylsilylethynyl)pyran-2-one is sourced from PubChem (CID 11148228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).