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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Related Compounds

6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one
CID 12027339
6-((tert-Butyldimethylsilyl)oxy)hex-3-yn-2-one
CID 13449457
1,1,1-Trifluoro-4-(triisopropylsilyl)but-3-yn-2-one
CID 59774887
Tert-butyl-(5,5-difluoropent-3-ynoxy)-dimethylsilane
CID 142635632
6-[Tert-butyl(dimethyl)silyl]oxy-1,1-difluorohex-3-yn-2-one
CID 165125046
5-[Tert-butyl(dimethyl)silyl]oxy-1,1-difluoropent-3-yn-2-one
CID 167483890
5-Tert-butylsilyloxy-1,1,1-trifluoropent-3-yn-2-one
CID 173540063
5-[Tert-butyl(methyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one
CID 173590289
5-[(Tert-butyldimethylsilyl)oxy]-3-pentyn-2-one
CID 12764994
Methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane
CID 158190041
5-[Tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-one;methanol
CID 158295492
3-[(Tert-butyldimethylsilyl)oxy]-1,1-difluoropropan-2-one
CID 168025938

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).