1-trimethylsilylbut-3-en-1-one

C7H14OSi — CID 59689390

IUPAC1-trimethylsilylbut-3-en-1-one
SMILESC=CCC(=O)[Si](C)(C)C
InChIInChI=1S/C7H14OSi/c1-5-6-7(8)9(2,3)4/h5H,1,6H2,2-4H3
InChIKeyYIHYELCYLPPEFL-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.01
Rot. Bonds3

About 1-trimethylsilylbut-3-en-1-one

1-trimethylsilylbut-3-en-1-one (PubChem CID 59689390) has the molecular formula C7H14OSi and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-trimethylsilylbut-3-en-1-one.

Molecular Properties

Compound Name1-trimethylsilylbut-3-en-1-one
PubChem CID59689390
Molecular FormulaC7H14OSi
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-trimethylsilylbut-3-en-1-one
SMILESC=CCC(=O)[Si](C)(C)C
InChIInChI=1S/C7H14OSi/c1-5-6-7(8)9(2,3)4/h5H,1,6H2,2-4H3
InChIKeyYIHYELCYLPPEFL-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylbut-3-en-1-one?
The IUPAC name of 1-trimethylsilylbut-3-en-1-one (CID 59689390) is 1-trimethylsilylbut-3-en-1-one.
What is the SMILES notation for 1-trimethylsilylbut-3-en-1-one?
The canonical SMILES for 1-trimethylsilylbut-3-en-1-one is C=CCC(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylbut-3-en-1-one?
The InChIKey is YIHYELCYLPPEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSi/c1-5-6-7(8)9(2,3)4/h5H,1,6H2,2-4H3.
What are the key properties of 1-trimethylsilylbut-3-en-1-one?
1-trimethylsilylbut-3-en-1-one has a molecular weight of 142.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylbut-3-en-1-one is sourced from PubChem (CID 59689390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).