(2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane

C15H30F6O3Si2 — CID 10812464

IUPAC(2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane
SMILESCCOC(CCC(C)(O[Si](C)(C)C)C(F)(F)F)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C15H30F6O3Si2/c1-9-22-13(15(19,20)21,24-26(6,7)8)11-10-12(2,14(16,17)18)23-25(3,4)5/h9-11H2,1-8H3
InChIKeyYKYPFXPHFWZWIO-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.09
Rot. Bonds9

About (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane

(2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane (PubChem CID 10812464) has the molecular formula C15H30F6O3Si2 and a molecular weight of 428.56 g/mol. Its IUPAC name is (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane
PubChem CID10812464
Molecular FormulaC15H30F6O3Si2
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC Name(2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane
SMILESCCOC(CCC(C)(O[Si](C)(C)C)C(F)(F)F)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C15H30F6O3Si2/c1-9-22-13(15(19,20)21,24-26(6,7)8)11-10-12(2,14(16,17)18)23-25(3,4)5/h9-11H2,1-8H3
InChIKeyYKYPFXPHFWZWIO-UHFFFAOYSA-N
XLogP6.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane?
The IUPAC name of (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane (CID 10812464) is (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane?
The canonical SMILES for (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane is CCOC(CCC(C)(O[Si](C)(C)C)C(F)(F)F)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane?
The InChIKey is YKYPFXPHFWZWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F6O3Si2/c1-9-22-13(15(19,20)21,24-26(6,7)8)11-10-12(2,14(16,17)18)23-25(3,4)5/h9-11H2,1-8H3.
What are the key properties of (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane?
(2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane has a molecular weight of 428.56 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 10812464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).