1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one

C12H20O2Si — CID 123857518

IUPAC1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one
SMILESCOCC(=O)C=CC1C(C)=C1[Si](C)(C)C
InChIInChI=1S/C12H20O2Si/c1-9-11(12(9)15(3,4)5)7-6-10(13)8-14-2/h6-7,11H,8H2,1-5H3
InChIKeyYIRMCAMYAJKRFY-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.58
Rot. Bonds5

About 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one

1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one (PubChem CID 123857518) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one.

Molecular Properties

Compound Name1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one
PubChem CID123857518
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one
SMILESCOCC(=O)C=CC1C(C)=C1[Si](C)(C)C
InChIInChI=1S/C12H20O2Si/c1-9-11(12(9)15(3,4)5)7-6-10(13)8-14-2/h6-7,11H,8H2,1-5H3
InChIKeyYIRMCAMYAJKRFY-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one?
The IUPAC name of 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one (CID 123857518) is 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one.
What is the SMILES notation for 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one?
The canonical SMILES for 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one is COCC(=O)C=CC1C(C)=C1[Si](C)(C)C.
What is the InChIKey of 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one?
The InChIKey is YIRMCAMYAJKRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-9-11(12(9)15(3,4)5)7-6-10(13)8-14-2/h6-7,11H,8H2,1-5H3.
What are the key properties of 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one?
1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one has a molecular weight of 224.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one is sourced from PubChem (CID 123857518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).