(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol

C11H23FO2Si — CID 16655221

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol
SMILESC/C(CO[Si](C)(C)C(C)(C)C)=C(\F)CO
InChIInChI=1S/C11H23FO2Si/c1-9(10(12)7-13)8-14-15(5,6)11(2,3)4/h13H,7-8H2,1-6H3/b10-9+
InChIKeyQTYMZVZYGPKHBB-MDZDMXLPSA-N
MW234.39 g/mol
LogP3.24
Rot. Bonds4

About (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol

(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol (PubChem CID 16655221) has the molecular formula C11H23FO2Si and a molecular weight of 234.39 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol
PubChem CID16655221
Molecular FormulaC11H23FO2Si
Molecular Weight234.39 g/mol
Exact Mass234.15
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol
SMILESC/C(CO[Si](C)(C)C(C)(C)C)=C(\F)CO
InChIInChI=1S/C11H23FO2Si/c1-9(10(12)7-13)8-14-15(5,6)11(2,3)4/h13H,7-8H2,1-6H3/b10-9+
InChIKeyQTYMZVZYGPKHBB-MDZDMXLPSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol (CID 16655221) is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol is C/C(CO[Si](C)(C)C(C)(C)C)=C(\F)CO.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol?
The InChIKey is QTYMZVZYGPKHBB-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H23FO2Si/c1-9(10(12)7-13)8-14-15(5,6)11(2,3)4/h13H,7-8H2,1-6H3/b10-9+.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol?
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol has a molecular weight of 234.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-methylbut-2-en-1-ol is sourced from PubChem (CID 16655221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).