1-trimethylsilylhex-4-en-1-yn-3-one

C9H14OSi — CID 54080283

IUPAC1-trimethylsilylhex-4-en-1-yn-3-one
SMILESCC=CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C9H14OSi/c1-5-6-9(10)7-8-11(2,3)4/h5-6H,1-4H3
InChIKeyMMPURATXAVXEQA-UHFFFAOYSA-N
MW166.30 g/mol
LogP2.01
Rot. Bonds1

About 1-trimethylsilylhex-4-en-1-yn-3-one

1-trimethylsilylhex-4-en-1-yn-3-one (PubChem CID 54080283) has the molecular formula C9H14OSi and a molecular weight of 166.30 g/mol. Its IUPAC name is 1-trimethylsilylhex-4-en-1-yn-3-one.

Molecular Properties

Compound Name1-trimethylsilylhex-4-en-1-yn-3-one
PubChem CID54080283
Molecular FormulaC9H14OSi
Molecular Weight166.30 g/mol
Exact Mass166.08
IUPAC Name1-trimethylsilylhex-4-en-1-yn-3-one
SMILESCC=CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C9H14OSi/c1-5-6-9(10)7-8-11(2,3)4/h5-6H,1-4H3
InChIKeyMMPURATXAVXEQA-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.30
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylhex-4-en-1-yn-3-one?
The IUPAC name of 1-trimethylsilylhex-4-en-1-yn-3-one (CID 54080283) is 1-trimethylsilylhex-4-en-1-yn-3-one.
What is the SMILES notation for 1-trimethylsilylhex-4-en-1-yn-3-one?
The canonical SMILES for 1-trimethylsilylhex-4-en-1-yn-3-one is CC=CC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylhex-4-en-1-yn-3-one?
The InChIKey is MMPURATXAVXEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OSi/c1-5-6-9(10)7-8-11(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-trimethylsilylhex-4-en-1-yn-3-one?
1-trimethylsilylhex-4-en-1-yn-3-one has a molecular weight of 166.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylhex-4-en-1-yn-3-one is sourced from PubChem (CID 54080283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).