triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane

C28H40F6O2Si2 — CID 12534368

IUPACtriethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane
SMILESCC[Si](CC)(CC)OC(c1ccccc1)(C(F)(F)F)C(O[Si](CC)(CC)CC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C28H40F6O2Si2/c1-7-37(8-2,9-3)35-25(27(29,30)31,23-19-15-13-16-20-23)26(28(32,33)34,24-21-17-14-18-22-24)36-38(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3
InChIKeyHUSUDZDRJKUVPF-UHFFFAOYSA-N
MW578.79 g/mol
LogP9.95
Rot. Bonds13

About triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane

triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane (PubChem CID 12534368) has the molecular formula C28H40F6O2Si2 and a molecular weight of 578.79 g/mol. Its IUPAC name is triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane.

Molecular Properties

Compound Nametriethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane
PubChem CID12534368
Molecular FormulaC28H40F6O2Si2
Molecular Weight578.79 g/mol
Exact Mass578.25
IUPAC Nametriethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane
SMILESCC[Si](CC)(CC)OC(c1ccccc1)(C(F)(F)F)C(O[Si](CC)(CC)CC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C28H40F6O2Si2/c1-7-37(8-2,9-3)35-25(27(29,30)31,23-19-15-13-16-20-23)26(28(32,33)34,24-21-17-14-18-22-24)36-38(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3
InChIKeyHUSUDZDRJKUVPF-UHFFFAOYSA-N
XLogP9.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.79
LogP ≤ 59.95
H-Bond Donors ≤ 50
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 triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane?
The IUPAC name of triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane (CID 12534368) is triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane.
What is the SMILES notation for triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane?
The canonical SMILES for triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane is CC[Si](CC)(CC)OC(c1ccccc1)(C(F)(F)F)C(O[Si](CC)(CC)CC)(c1ccccc1)C(F)(F)F.
What is the InChIKey of triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane?
The InChIKey is HUSUDZDRJKUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F6O2Si2/c1-7-37(8-2,9-3)35-25(27(29,30)31,23-19-15-13-16-20-23)26(28(32,33)34,24-21-17-14-18-22-24)36-38(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3.
What are the key properties of triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane?
triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane has a molecular weight of 578.79 g/mol, XLogP of 9.95, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylsilyloxybutan-2-yl)oxysilane is sourced from PubChem (CID 12534368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).