1-trimethylsilylpent-1-yn-3-one

C8H14OSi — CID 12529653

IUPAC1-trimethylsilylpent-1-yn-3-one
SMILESCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C8H14OSi/c1-5-8(9)6-7-10(2,3)4/h5H2,1-4H3
InChIKeyTUAHLJPPPYCDJR-UHFFFAOYSA-N
MW154.28 g/mol
LogP1.85
Rot. Bonds1

About 1-trimethylsilylpent-1-yn-3-one

1-trimethylsilylpent-1-yn-3-one (PubChem CID 12529653) has the molecular formula C8H14OSi and a molecular weight of 154.28 g/mol. Its IUPAC name is 1-trimethylsilylpent-1-yn-3-one.

Molecular Properties

Compound Name1-trimethylsilylpent-1-yn-3-one
PubChem CID12529653
Molecular FormulaC8H14OSi
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name1-trimethylsilylpent-1-yn-3-one
SMILESCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C8H14OSi/c1-5-8(9)6-7-10(2,3)4/h5H2,1-4H3
InChIKeyTUAHLJPPPYCDJR-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylpent-1-yn-3-one?
The IUPAC name of 1-trimethylsilylpent-1-yn-3-one (CID 12529653) is 1-trimethylsilylpent-1-yn-3-one.
What is the SMILES notation for 1-trimethylsilylpent-1-yn-3-one?
The canonical SMILES for 1-trimethylsilylpent-1-yn-3-one is CCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylpent-1-yn-3-one?
The InChIKey is TUAHLJPPPYCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OSi/c1-5-8(9)6-7-10(2,3)4/h5H2,1-4H3.
What are the key properties of 1-trimethylsilylpent-1-yn-3-one?
1-trimethylsilylpent-1-yn-3-one has a molecular weight of 154.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylpent-1-yn-3-one is sourced from PubChem (CID 12529653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).