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

C13H20O2Si — CID 10879132

IUPAC2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one
SMILESCCCCC1OC(=O)C=C1C#C[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-5-6-7-12-11(10-13(14)15-12)8-9-16(2,3)4/h10,12H,5-7H2,1-4H3
InChIKeyDRSRKQQZFNTUFG-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.91
Rot. Bonds3

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

2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one (PubChem CID 10879132) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one
PubChem CID10879132
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one
SMILESCCCCC1OC(=O)C=C1C#C[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-5-6-7-12-11(10-13(14)15-12)8-9-16(2,3)4/h10,12H,5-7H2,1-4H3
InChIKeyDRSRKQQZFNTUFG-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.91
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

[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
CID 10966588
2-butyl-4-methyl-3-pent-1-ynyl-2H-furan-5-one
CID 102050650
methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate
CID 134969842
2-butyl-3-(3-hydroxyprop-1-ynyl)-2H-furan-5-one
CID 11074276
ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclopentylidene]acetate
CID 14435493
2-butyl-3-hex-1-ynyl-2H-furan-5-one
CID 15864899
2-heptyl-3-hex-1-ynyl-2H-furan-5-one
CID 15864901
Propan-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienoate
CID 57048060
[10-[Tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
CID 57060940
(2Z,6E)-10-(tert.-butyldimethylsilyloxy)-3,7,11-trimethyl-2,6,11-dodecatrienyl acetate
CID 86742994
isopropyl (6E)-10-(tert.-butyldimethylsiloxy)-3,7,11-trimethyl-2,6,11-dodecatrienoate
CID 86743006
ethyl (E)-3-(2-trimethylsilylethynyl)hex-2-enoate
CID 87998730

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The IUPAC name of 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one (CID 10879132) is 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one.
What is the SMILES notation for 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The canonical SMILES for 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one is CCCCC1OC(=O)C=C1C#C[Si](C)(C)C.
What is the InChIKey of 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one?
The InChIKey is DRSRKQQZFNTUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-5-6-7-12-11(10-13(14)15-12)8-9-16(2,3)4/h10,12H,5-7H2,1-4H3.
What are the key properties of 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one?
2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one has a molecular weight of 236.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one is sourced from PubChem (CID 10879132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).