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

C12H21F3O3Si — CID 158295492

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(=O)C(F)(F)F.CO
InChIInChI=1S/C11H17F3O2Si.CH4O/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14;1-2/h8H2,1-5H3;2H,1H3
InChIKeyGLVYLECRGYFAKZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.75
Rot. Bonds2

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

5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol (PubChem CID 158295492) has the molecular formula C12H21F3O3Si and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol
PubChem CID158295492
Molecular FormulaC12H21F3O3Si
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(=O)C(F)(F)F.CO
InChIInChI=1S/C11H17F3O2Si.CH4O/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14;1-2/h8H2,1-5H3;2H,1H3
InChIKeyGLVYLECRGYFAKZ-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;methanol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol (CID 158295492) is 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol is CC(C)(C)[Si](C)(C)OCC#CC(=O)C(F)(F)F.CO.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol?
The InChIKey is GLVYLECRGYFAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2Si.CH4O/c1-10(2,3)17(4,5)16-8-6-7-9(15)11(12,13)14;1-2/h8H2,1-5H3;2H,1H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol?
5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol has a molecular weight of 298.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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;methanol is sourced from PubChem (CID 158295492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).