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

C16H26O2Si — CID 15864903

IUPAC2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one
SMILESCCCCCCCC1OC(=O)C=C1C#C[Si](C)(C)C
InChIInChI=1S/C16H26O2Si/c1-5-6-7-8-9-10-15-14(13-16(17)18-15)11-12-19(2,3)4/h13,15H,5-10H2,1-4H3
InChIKeyOENJTKUYEMTSFD-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.08
Rot. Bonds6

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

2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one (PubChem CID 15864903) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one
PubChem CID15864903
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one
SMILESCCCCCCCC1OC(=O)C=C1C#C[Si](C)(C)C
InChIInChI=1S/C16H26O2Si/c1-5-6-7-8-9-10-15-14(13-16(17)18-15)11-12-19(2,3)4/h13,15H,5-10H2,1-4H3
InChIKeyOENJTKUYEMTSFD-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dodecyl-5-ethyl-2(5H)-furanone
CID 3844766
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
CID 134846818
ethyl (2E,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxyheptadeca-2,9-dien-4,6-diynoate
CID 134974624
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009693
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009694
(3-Methylcyclohex-2-en-1-yl) 2-methyl-5-trimethylsilylpent-4-ynoate
CID 135028459
2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one
CID 10879132
3-butyl-2-heptyl-2H-furan-5-one
CID 15416899
2-butyl-3-hex-1-ynyl-2H-furan-5-one
CID 15864899
2-heptyl-3-hex-1-ynyl-2H-furan-5-one
CID 15864901

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The IUPAC name of 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one (CID 15864903) is 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one.
What is the SMILES notation for 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The canonical SMILES for 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one is CCCCCCCC1OC(=O)C=C1C#C[Si](C)(C)C.
What is the InChIKey of 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The InChIKey is OENJTKUYEMTSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-5-6-7-8-9-10-15-14(13-16(17)18-15)11-12-19(2,3)4/h13,15H,5-10H2,1-4H3.
What are the key properties of 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one?
2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one has a molecular weight of 278.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one is sourced from PubChem (CID 15864903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).