2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one

C13H20O3Si — CID 10658491

IUPAC2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C)C(=O)C(C=C)=C1OC
InChIInChI=1S/C13H20O3Si/c1-7-9-13(16-17(4,5)6)11(14)10(8-2)12(13)15-3/h7-8H,1-2,9H2,3-6H3
InChIKeyLHXSNVMFNJANHL-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.82
Rot. Bonds6

About 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one

2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 10658491) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID10658491
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Name2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C)C(=O)C(C=C)=C1OC
InChIInChI=1S/C13H20O3Si/c1-7-9-13(16-17(4,5)6)11(14)10(8-2)12(13)15-3/h7-8H,1-2,9H2,3-6H3
InChIKeyLHXSNVMFNJANHL-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-Ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593194
4-Hydroxy-3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10488577
3-Methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10539881
2-Ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10683204
3-Methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10826633
3,4-Dimethoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 101614814

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one (CID 10658491) is 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one is C=CCC1(O[Si](C)(C)C)C(=O)C(C=C)=C1OC.
What is the InChIKey of 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is LHXSNVMFNJANHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-7-9-13(16-17(4,5)6)11(14)10(8-2)12(13)15-3/h7-8H,1-2,9H2,3-6H3.
What are the key properties of 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 252.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 10658491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).