3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

C14H20O2Si — CID 10753101

IUPAC3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESC=CCCC1=C(C#C[Si](C)(C)C)C(=O)C1(C)O
InChIInChI=1S/C14H20O2Si/c1-6-7-8-12-11(9-10-17(3,4)5)13(15)14(12,2)16/h6,16H,1,7-8H2,2-5H3
InChIKeyFPZMXLTUIDLSPY-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.46
Rot. Bonds3

About 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (PubChem CID 10753101) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
PubChem CID10753101
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESC=CCCC1=C(C#C[Si](C)(C)C)C(=O)C1(C)O
InChIInChI=1S/C14H20O2Si/c1-6-7-8-12-11(9-10-17(3,4)5)13(15)14(12,2)16/h6,16H,1,7-8H2,2-5H3
InChIKeyFPZMXLTUIDLSPY-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 14813453
3-But-3-enyl-2-(3-methoxyprop-1-ynyl)-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10613623
3-But-3-enyl-4-hydroxy-4-methyl-2-(2-methylprop-1-enyl)cyclobut-2-en-1-one
CID 10632112
3-But-3-enyl-2-hex-1-ynyl-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 10657225
3-But-3-enyl-2-hex-1-ynyl-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10662327
3-But-3-enyl-4-hydroxy-2-(3-methoxyprop-1-ynyl)-4-methylcyclobut-2-en-1-one
CID 10704158
3-But-3-enyl-4-methyl-2-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10734506
2-Hex-1-ynyl-4-hydroxy-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
CID 10751315

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The IUPAC name of 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (CID 10753101) is 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.
What is the SMILES notation for 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The canonical SMILES for 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is C=CCCC1=C(C#C[Si](C)(C)C)C(=O)C1(C)O.
What is the InChIKey of 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The InChIKey is FPZMXLTUIDLSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-6-7-8-12-11(9-10-17(3,4)5)13(15)14(12,2)16/h6,16H,1,7-8H2,2-5H3.
What are the key properties of 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one has a molecular weight of 248.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is sourced from PubChem (CID 10753101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).