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

C10H12O3Si — CID 14112438

IUPAC3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
SMILESCOc1c(C#C[Si](C)(C)C)c(=O)c1=O
InChIInChI=1S/C10H12O3Si/c1-13-10-7(8(11)9(10)12)5-6-14(2,3)4/h1-4H3
InChIKeyQDJFHSXJZQYBJY-UHFFFAOYSA-N
MW208.29 g/mol
LogP0.52
Rot. Bonds1

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

3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione (PubChem CID 14112438) has the molecular formula C10H12O3Si and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
PubChem CID14112438
Molecular FormulaC10H12O3Si
Molecular Weight208.29 g/mol
Exact Mass208.06
IUPAC Name3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
SMILESCOc1c(C#C[Si](C)(C)C)c(=O)c1=O
InChIInChI=1S/C10H12O3Si/c1-13-10-7(8(11)9(10)12)5-6-14(2,3)4/h1-4H3
InChIKeyQDJFHSXJZQYBJY-UHFFFAOYSA-N
XLogP0.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethoxy-4-[(trimethylsilyl)ethynyl]cyclobut-3-ene-1,2-dione
CID 13830794
3-Hex-1-ynyl-4-methoxycyclobut-3-ene-1,2-dione
CID 10035472
3-Propan-2-yloxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
CID 10537797
3-Methoxy-4-(3-methylpent-1-yn-1-yl)cyclobut-3-ene-1,2-dione
CID 15129436
3-Methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione
CID 101036811

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione (CID 14112438) is 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione is COc1c(C#C[Si](C)(C)C)c(=O)c1=O.
What is the InChIKey of 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione?
The InChIKey is QDJFHSXJZQYBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3Si/c1-13-10-7(8(11)9(10)12)5-6-14(2,3)4/h1-4H3.
What are the key properties of 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione?
3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione has a molecular weight of 208.29 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 14112438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).