1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one

C14H14OSi — CID 15953221

IUPAC1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
SMILESC[Si](C)(C)C#CC#CC(=O)c1ccccc1
InChIInChI=1S/C14H14OSi/c1-16(2,3)12-8-7-11-14(15)13-9-5-4-6-10-13/h4-6,9-10H,1-3H3
InChIKeyLBBRIVYOMQEUIT-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.75
Rot. Bonds1

About 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one

1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one (PubChem CID 15953221) has the molecular formula C14H14OSi and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one.

Molecular Properties

Compound Name1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
PubChem CID15953221
Molecular FormulaC14H14OSi
Molecular Weight226.35 g/mol
Exact Mass226.08
IUPAC Name1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
SMILESC[Si](C)(C)C#CC#CC(=O)c1ccccc1
InChIInChI=1S/C14H14OSi/c1-16(2,3)12-8-7-11-14(15)13-9-5-4-6-10-13/h4-6,9-10H,1-3H3
InChIKeyLBBRIVYOMQEUIT-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenylpenta-2,4-diyn-1-one
CID 592950
2-trimethylsilylethynyl benzoate
CID 22376413
3-chloro-1-phenylprop-2-yn-1-one
CID 15335754
1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one
CID 101110338
3-methoxy-1-phenylprop-2-yn-1-one
CID 154279908
6-trimethylsilylhexa-3,5-diyn-2-one
CID 11275194
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
methyl 4-(3-trimethylsilylprop-2-ynoyl)benzoate
CID 165344441
4-(4-trimethylsilylbuta-1,3-diynyl)benzoic acid
CID 141099093
1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
CID 71332412
4-fluoro-1-phenylbut-2-yn-1-one
CID 67741597

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one?
The IUPAC name of 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one (CID 15953221) is 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one.
What is the SMILES notation for 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one?
The canonical SMILES for 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one is C[Si](C)(C)C#CC#CC(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one?
The InChIKey is LBBRIVYOMQEUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OSi/c1-16(2,3)12-8-7-11-14(15)13-9-5-4-6-10-13/h4-6,9-10H,1-3H3.
What are the key properties of 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one?
1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one has a molecular weight of 226.35 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one is sourced from PubChem (CID 15953221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).