(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol

C13H27FO2Si — CID 88610393

IUPAC(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol
SMILESCCCC(C)(C)[Si](C)(C)OCC/C=C(/F)CO
InChIInChI=1S/C13H27FO2Si/c1-6-9-13(2,3)17(4,5)16-10-7-8-12(14)11-15/h8,15H,6-7,9-11H2,1-5H3/b12-8+
InChIKeyGUMALSKYOLOSAJ-XYOKQWHBSA-N
MW262.44 g/mol
LogP4.02
Rot. Bonds8

About (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol

(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol (PubChem CID 88610393) has the molecular formula C13H27FO2Si and a molecular weight of 262.44 g/mol. Its IUPAC name is (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol
PubChem CID88610393
Molecular FormulaC13H27FO2Si
Molecular Weight262.44 g/mol
Exact Mass262.18
IUPAC Name(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol
SMILESCCCC(C)(C)[Si](C)(C)OCC/C=C(/F)CO
InChIInChI=1S/C13H27FO2Si/c1-6-9-13(2,3)17(4,5)16-10-7-8-12(14)11-15/h8,15H,6-7,9-11H2,1-5H3/b12-8+
InChIKeyGUMALSKYOLOSAJ-XYOKQWHBSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol?
The IUPAC name of (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol (CID 88610393) is (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol.
What is the SMILES notation for (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol?
The canonical SMILES for (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol is CCCC(C)(C)[Si](C)(C)OCC/C=C(/F)CO.
What is the InChIKey of (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol?
The InChIKey is GUMALSKYOLOSAJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H27FO2Si/c1-6-9-13(2,3)17(4,5)16-10-7-8-12(14)11-15/h8,15H,6-7,9-11H2,1-5H3/b12-8+.
What are the key properties of (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol?
(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol has a molecular weight of 262.44 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol is sourced from PubChem (CID 88610393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).