5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one

C11H17F3O2Si — CID 86663139

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one
SMILESCC(C)(C)[Si](C)(C)OCC#CC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3O2Si/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14/h8H2,1-5H3
InChIKeyKWIBHMJRYNBWGO-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.14
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one

5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one (PubChem CID 86663139) has the molecular formula C11H17F3O2Si and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one
PubChem CID86663139
Molecular FormulaC11H17F3O2Si
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one
SMILESCC(C)(C)[Si](C)(C)OCC#CC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3O2Si/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14/h8H2,1-5H3
InChIKeyKWIBHMJRYNBWGO-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one (CID 86663139) is 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one is CC(C)(C)[Si](C)(C)OCC#CC(=O)C(F)(F)F.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one?
The InChIKey is KWIBHMJRYNBWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2Si/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14/h8H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one?
5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one has a molecular weight of 266.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one is sourced from PubChem (CID 86663139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).