5-trimethylsilylpent-4-yn-2-one

C8H14OSi — CID 12685334

IUPAC5-trimethylsilylpent-4-yn-2-one
SMILESCC(=O)CC#C[Si](C)(C)C
InChIInChI=1S/C8H14OSi/c1-8(9)6-5-7-10(2,3)4/h6H2,1-4H3
InChIKeyXIUFFPYHMBYURA-UHFFFAOYSA-N
MW154.28 g/mol
LogP1.85
Rot. Bonds1

About 5-trimethylsilylpent-4-yn-2-one

5-trimethylsilylpent-4-yn-2-one (PubChem CID 12685334) has the molecular formula C8H14OSi and a molecular weight of 154.28 g/mol. Its IUPAC name is 5-trimethylsilylpent-4-yn-2-one.

Molecular Properties

Compound Name5-trimethylsilylpent-4-yn-2-one
PubChem CID12685334
Molecular FormulaC8H14OSi
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name5-trimethylsilylpent-4-yn-2-one
SMILESCC(=O)CC#C[Si](C)(C)C
InChIInChI=1S/C8H14OSi/c1-8(9)6-5-7-10(2,3)4/h6H2,1-4H3
InChIKeyXIUFFPYHMBYURA-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'}

Analyze 5-trimethylsilylpent-4-yn-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate
CID 11805971
(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate
CID 125486342
5-fluoropent-4-yn-2-one
CID 87653919
2-methyl-5-trimethylsilylpent-4-ynoic acid
CID 102228777
1-deuterio-3-trimethylsilylprop-2-yn-1-ol
CID 170672401
1,1-dideuterio-3-trimethylsilylprop-2-yn-1-ol
CID 170699958
1-chloro-6-trimethylsilylhex-5-yn-2-one
CID 86086771
(4R)-4-amino-6-trimethylsilylhex-5-yn-2-one
CID 59952392
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one
CID 171950108
dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid
CID 21051152
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one
CID 171950116
methyl N-[(2R)-5-trimethylsilylpent-4-yn-2-yl]carbamate
CID 11063776

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilylpent-4-yn-2-one?
The IUPAC name of 5-trimethylsilylpent-4-yn-2-one (CID 12685334) is 5-trimethylsilylpent-4-yn-2-one.
What is the SMILES notation for 5-trimethylsilylpent-4-yn-2-one?
The canonical SMILES for 5-trimethylsilylpent-4-yn-2-one is CC(=O)CC#C[Si](C)(C)C.
What is the InChIKey of 5-trimethylsilylpent-4-yn-2-one?
The InChIKey is XIUFFPYHMBYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OSi/c1-8(9)6-5-7-10(2,3)4/h6H2,1-4H3.
What are the key properties of 5-trimethylsilylpent-4-yn-2-one?
5-trimethylsilylpent-4-yn-2-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 5-trimethylsilylpent-4-yn-2-one is sourced from PubChem (CID 12685334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).