2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one

C15H26O5Si2 — CID 13460297

IUPAC2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one
SMILESCOC1=C(OC)C(C#CCO[Si](C)(C)C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C15H26O5Si2/c1-17-12-13(16)15(14(12)18-2,20-22(6,7)8)10-9-11-19-21(3,4)5/h11H2,1-8H3
InChIKeyUCMHJWKHKSVEEQ-UHFFFAOYSA-N
MW342.54 g/mol
LogP2.52
Rot. Bonds6

About 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one

2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one (PubChem CID 13460297) has the molecular formula C15H26O5Si2 and a molecular weight of 342.54 g/mol. Its IUPAC name is 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one
PubChem CID13460297
Molecular FormulaC15H26O5Si2
Molecular Weight342.54 g/mol
Exact Mass342.13
IUPAC Name2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one
SMILESCOC1=C(OC)C(C#CCO[Si](C)(C)C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C15H26O5Si2/c1-17-12-13(16)15(14(12)18-2,20-22(6,7)8)10-9-11-19-21(3,4)5/h11H2,1-8H3
InChIKeyUCMHJWKHKSVEEQ-UHFFFAOYSA-N
XLogP2.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.54
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)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

2-Cyclobuten-1-one, 2,3-diethoxy-4-hydroxy-4-[(trimethylsilyl)ethynyl]-
CID 11000066
4-Ethynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 85574253
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
4-Hex-1-ynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 13460295
4-[Tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140288
4-Hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134876296
4-Ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134887180
4-Hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 14689912
4-Hex-2-ynoxy-2,3-dimethoxy-4-prop-1-ynylcyclobut-2-en-1-one
CID 15074641
3,4-Diisopropoxy-2-trimethylsilyloxy-2-methylcyclobut-3-ene-1-one
CID 14715012
2,3-Dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 12179767

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one?
The IUPAC name of 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one (CID 13460297) is 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one.
What is the SMILES notation for 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one?
The canonical SMILES for 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one is COC1=C(OC)C(C#CCO[Si](C)(C)C)(O[Si](C)(C)C)C1=O.
What is the InChIKey of 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one?
The InChIKey is UCMHJWKHKSVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5Si2/c1-17-12-13(16)15(14(12)18-2,20-22(6,7)8)10-9-11-19-21(3,4)5/h11H2,1-8H3.
What are the key properties of 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one?
2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one has a molecular weight of 342.54 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one is sourced from PubChem (CID 13460297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).