3-(2-trimethylsilylethynyl)-2H-furan-5-one

C9H12O2Si — CID 11816216

IUPAC3-(2-trimethylsilylethynyl)-2H-furan-5-one
SMILESC[Si](C)(C)C#CC1=CC(=O)OC1
InChIInChI=1S/C9H12O2Si/c1-12(2,3)5-4-8-6-9(10)11-7-8/h6H,7H2,1-3H3
InChIKeyDAZBKGAWEPZEEV-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.35
Rot. Bonds

About 3-(2-trimethylsilylethynyl)-2H-furan-5-one

3-(2-trimethylsilylethynyl)-2H-furan-5-one (PubChem CID 11816216) has the molecular formula C9H12O2Si and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-(2-trimethylsilylethynyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-trimethylsilylethynyl)-2H-furan-5-one
PubChem CID11816216
Molecular FormulaC9H12O2Si
Molecular Weight180.28 g/mol
Exact Mass180.06
IUPAC Name3-(2-trimethylsilylethynyl)-2H-furan-5-one
SMILESC[Si](C)(C)C#CC1=CC(=O)OC1
InChIInChI=1S/C9H12O2Si/c1-12(2,3)5-4-8-6-9(10)11-7-8/h6H,7H2,1-3H3
InChIKeyDAZBKGAWEPZEEV-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.35
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

3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one
CID 10888228
ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate
CID 15311255
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
2-Penten-4-ynoic acid, 3-methyl-5-(trimethylsilyl)-, ethyl ester, (2E)-
CID 15858658
2(5H)-Furanone, 4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-
CID 543925
Ethyl (e)-4-((tert-butyldimethylsilyl)oxy)-3-methylbut-2-enoate
CID 11737024
3-(4-methylpent-4-en-1-ynyl)-2H-furan-5-one
CID 11051967
ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate
CID 11401400
ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate
CID 11572750
methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 12728270
ethyl (E)-3-trimethylsilylbut-2-enoate
CID 13087507
3-(trimethylsilyl)methyl-(5H)-furan-2-one
CID 14116359

Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The IUPAC name of 3-(2-trimethylsilylethynyl)-2H-furan-5-one (CID 11816216) is 3-(2-trimethylsilylethynyl)-2H-furan-5-one.
What is the SMILES notation for 3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The canonical SMILES for 3-(2-trimethylsilylethynyl)-2H-furan-5-one is C[Si](C)(C)C#CC1=CC(=O)OC1.
What is the InChIKey of 3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The InChIKey is DAZBKGAWEPZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2Si/c1-12(2,3)5-4-8-6-9(10)11-7-8/h6H,7H2,1-3H3.
What are the key properties of 3-(2-trimethylsilylethynyl)-2H-furan-5-one?
3-(2-trimethylsilylethynyl)-2H-furan-5-one has a molecular weight of 180.28 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethylsilylethynyl)-2H-furan-5-one is sourced from PubChem (CID 11816216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).