5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol

C13H26F2O3Si — CID 87216911

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(F)(F)CO.CCO
InChIInChI=1S/C11H20F2O2Si.C2H6O/c1-10(2,3)16(4,5)15-8-6-7-11(12,13)9-14;1-2-3/h14H,8-9H2,1-5H3;3H,2H2,1H3
InChIKeyHYWISXFFDWZSOG-UHFFFAOYSA-N
MW296.43 g/mol
LogP2.64
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol

5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol (PubChem CID 87216911) has the molecular formula C13H26F2O3Si and a molecular weight of 296.43 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol
PubChem CID87216911
Molecular FormulaC13H26F2O3Si
Molecular Weight296.43 g/mol
Exact Mass296.16
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(F)(F)CO.CCO
InChIInChI=1S/C11H20F2O2Si.C2H6O/c1-10(2,3)16(4,5)15-8-6-7-11(12,13)9-14;1-2-3/h14H,8-9H2,1-5H3;3H,2H2,1H3
InChIKeyHYWISXFFDWZSOG-UHFFFAOYSA-N
XLogP2.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-2,2-difluoropent-3-yn-1-ol;ethanol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol (CID 87216911) is 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol is CC(C)(C)[Si](C)(C)OCC#CC(F)(F)CO.CCO.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol?
The InChIKey is HYWISXFFDWZSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2Si.C2H6O/c1-10(2,3)16(4,5)15-8-6-7-11(12,13)9-14;1-2-3/h14H,8-9H2,1-5H3;3H,2H2,1H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol?
5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol has a molecular weight of 296.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;ethanol is sourced from PubChem (CID 87216911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).