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

C13H20O4Si — CID 11000066

IUPAC2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESCCOC1=C(OCC)C(O)(C#C[Si](C)(C)C)C1=O
InChIInChI=1S/C13H20O4Si/c1-6-16-10-11(14)13(15,12(10)17-7-2)8-9-18(3,4)5/h15H,6-7H2,1-5H3
InChIKeyMDFDDXWSIHNWSX-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.47
Rot. Bonds4

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

2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (PubChem CID 11000066) has the molecular formula C13H20O4Si and a molecular weight of 268.38 g/mol. Its IUPAC name is 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
PubChem CID11000066
Molecular FormulaC13H20O4Si
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESCCOC1=C(OCC)C(O)(C#C[Si](C)(C)C)C1=O
InChIInChI=1S/C13H20O4Si/c1-6-16-10-11(14)13(15,12(10)17-7-2)8-9-18(3,4)5/h15H,6-7H2,1-5H3
InChIKeyMDFDDXWSIHNWSX-UHFFFAOYSA-N
XLogP1.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

4-Hydroxy-4-pent-1-ynyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10978398
4-Hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 14562980
2,3-Diethoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 15191215
4-Ethynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 85574253
4-(2-Ethoxyethynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 85574270
4-Hydroxy-2,3-dimethoxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 85574271
2,3-Dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134876569
Ethyl 3-(1-hydroxy-2,3-dimethoxy-4-oxocyclobut-2-en-1-yl)prop-2-ynoate
CID 134892974
3,4-Diisopropoxy-2-hydroxy-2-methylcyclobut-3-ene-1-one
CID 14140277
4-(3-Hept-2-ynoxyprop-1-ynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10447042
4-Hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
CID 10592256
4-Hex-1-ynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 13460295

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The IUPAC name of 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (CID 11000066) is 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.
What is the SMILES notation for 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The canonical SMILES for 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is CCOC1=C(OCC)C(O)(C#C[Si](C)(C)C)C1=O.
What is the InChIKey of 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The InChIKey is MDFDDXWSIHNWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4Si/c1-6-16-10-11(14)13(15,12(10)17-7-2)8-9-18(3,4)5/h15H,6-7H2,1-5H3.
What are the key properties of 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one has a molecular weight of 268.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-4-hydroxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is sourced from PubChem (CID 11000066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).