4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

C11H16O2Si — CID 14813453

IUPAC4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESCC1=C(C)C(O)(C#C[Si](C)(C)C)C1=O
InChIInChI=1S/C11H16O2Si/c1-8-9(2)11(13,10(8)12)6-7-14(3,4)5/h13H,1-5H3
InChIKeyXOPHRXXSYGSMTN-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.52
Rot. Bonds

About 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (PubChem CID 14813453) has the molecular formula C11H16O2Si and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
PubChem CID14813453
Molecular FormulaC11H16O2Si
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESCC1=C(C)C(O)(C#C[Si](C)(C)C)C1=O
InChIInChI=1S/C11H16O2Si/c1-8-9(2)11(13,10(8)12)6-7-14(3,4)5/h13H,1-5H3
InChIKeyXOPHRXXSYGSMTN-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
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

2-Cyclobuten-1-one, 4-ethynyl-4-hydroxy-2,3-dimethyl-(9CI)
CID 14813452
2-Cyclobuten-1-one, 4-hydroxy-2,3-dimethyl-4-(1-propynyl)-(9CI)
CID 14813454
4-Hex-1-ynyl-4-hydroxy-2,3-dimethylcyclobut-2-en-1-one
CID 14813455
2-Hex-1-ynyl-4-hydroxy-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
CID 10751315
3-But-3-enyl-4-hydroxy-4-methyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 10753101

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (CID 14813453) is 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is CC1=C(C)C(O)(C#C[Si](C)(C)C)C1=O.
What is the InChIKey of 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The InChIKey is XOPHRXXSYGSMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2Si/c1-8-9(2)11(13,10(8)12)6-7-14(3,4)5/h13H,1-5H3.
What are the key properties of 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one has a molecular weight of 208.33 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dimethyl-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is sourced from PubChem (CID 14813453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).