4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one

C17H28O2Si — CID 10637423

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
SMILESC=CC1=C(C)C(CC(=C)C)(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H28O2Si/c1-10-14-13(4)17(15(14)18,11-12(2)3)19-20(8,9)16(5,6)7/h10H,1-2,11H2,3-9H3
InChIKeyYPAHPUXIBHBGQQ-UHFFFAOYSA-N
MW292.50 g/mol
LogP4.80
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one (PubChem CID 10637423) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
PubChem CID10637423
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
SMILESC=CC1=C(C)C(CC(=C)C)(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H28O2Si/c1-10-14-13(4)17(15(14)18,11-12(2)3)19-20(8,9)16(5,6)7/h10H,1-2,11H2,3-9H3
InChIKeyYPAHPUXIBHBGQQ-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Tert-butyl-6-triethylsilyloxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 23130082
2-Butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one
CID 67895853
4-[Tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10590801
2-Hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10613493
3-But-3-enyl-2-hex-1-ynyl-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10662327
3-But-3-enyl-4-methyl-2-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10734506
2-Ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10753210
4-[Tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
CID 10850246

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one (CID 10637423) is 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one is C=CC1=C(C)C(CC(=C)C)(O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one?
The InChIKey is YPAHPUXIBHBGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-10-14-13(4)17(15(14)18,11-12(2)3)19-20(8,9)16(5,6)7/h10H,1-2,11H2,3-9H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one has a molecular weight of 292.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one is sourced from PubChem (CID 10637423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).