2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one

C14H24O4Si2 — CID 134876569

IUPAC2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESCOC1=C(OC)C(C#C[Si](C)(C)C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H24O4Si2/c1-16-11-12(15)14(13(11)17-2,18-20(6,7)8)9-10-19(3,4)5/h1-8H3
InChIKeyKEYDRRHNEURHKI-UHFFFAOYSA-N
MW312.51 g/mol
LogP2.54
Rot. Bonds4

About 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one

2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 134876569) has the molecular formula C14H24O4Si2 and a molecular weight of 312.51 g/mol. Its IUPAC name is 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID134876569
Molecular FormulaC14H24O4Si2
Molecular Weight312.51 g/mol
Exact Mass312.12
IUPAC Name2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESCOC1=C(OC)C(C#C[Si](C)(C)C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H24O4Si2/c1-16-11-12(15)14(13(11)17-2,18-20(6,7)8)9-10-19(3,4)5/h1-8H3
InChIKeyKEYDRRHNEURHKI-UHFFFAOYSA-N
XLogP2.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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, 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
4-Hex-1-ynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 13460295
2,3-Dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one
CID 13460297
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-Hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 14689912
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
(4R)-4-hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 129404189
(4S)-4-hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 129404190

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one (CID 134876569) is 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one is COC1=C(OC)C(C#C[Si](C)(C)C)(O[Si](C)(C)C)C1=O.
What is the InChIKey of 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is KEYDRRHNEURHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si2/c1-16-11-12(15)14(13(11)17-2,18-20(6,7)8)9-10-19(3,4)5/h1-8H3.
What are the key properties of 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 312.51 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 134876569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).