4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one

C16H26O2Si — CID 10850246

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C(C)(C)C)C(=O)C(C=C)=C1C
InChIInChI=1S/C16H26O2Si/c1-9-11-16(12(3)13(10-2)14(16)17)18-19(7,8)15(4,5)6/h9-10H,1-2,11H2,3-8H3
InChIKeyPXGOMMUXSPNJAR-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.41
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one (PubChem CID 10850246) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
PubChem CID10850246
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C(C)(C)C)C(=O)C(C=C)=C1C
InChIInChI=1S/C16H26O2Si/c1-9-11-16(12(3)13(10-2)14(16)17)18-19(7,8)15(4,5)6/h9-10H,1-2,11H2,3-8H3
InChIKeyPXGOMMUXSPNJAR-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.41
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'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one with MolForge

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Related Compounds

2-Ethyl-6-tributylsilyloxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 20061956
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
4-[Tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 10637423
2-Ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10753210

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one (CID 10850246) is 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one is C=CCC1(O[Si](C)(C)C(C)(C)C)C(=O)C(C=C)=C1C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one?
The InChIKey is PXGOMMUXSPNJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-9-11-16(12(3)13(10-2)14(16)17)18-19(7,8)15(4,5)6/h9-10H,1-2,11H2,3-8H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one has a molecular weight of 278.47 g/mol, XLogP of 4.41, 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-prop-2-enylcyclobut-2-en-1-one is sourced from PubChem (CID 10850246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).