3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione

C10H12O2Si — CID 14744353

IUPAC3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
SMILESCc1c(C#C[Si](C)(C)C)c(=O)c1=O
InChIInChI=1S/C10H12O2Si/c1-7-8(10(12)9(7)11)5-6-13(2,3)4/h1-4H3
InChIKeyCCNAPKDIRFOQDY-UHFFFAOYSA-N
MW192.29 g/mol
LogP0.82
Rot. Bonds

About 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione

3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione (PubChem CID 14744353) has the molecular formula C10H12O2Si and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
PubChem CID14744353
Molecular FormulaC10H12O2Si
Molecular Weight192.29 g/mol
Exact Mass192.06
IUPAC Name3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
SMILESCc1c(C#C[Si](C)(C)C)c(=O)c1=O
InChIInChI=1S/C10H12O2Si/c1-7-8(10(12)9(7)11)5-6-13(2,3)4/h1-4H3
InChIKeyCCNAPKDIRFOQDY-UHFFFAOYSA-N
XLogP0.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione (CID 14744353) is 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione is Cc1c(C#C[Si](C)(C)C)c(=O)c1=O.
What is the InChIKey of 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione?
The InChIKey is CCNAPKDIRFOQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2Si/c1-7-8(10(12)9(7)11)5-6-13(2,3)4/h1-4H3.
What are the key properties of 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione?
3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione has a molecular weight of 192.29 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 14744353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).