(1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane

C17H26F6O2Si2 — CID 10526738

IUPAC(1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)(C(F)(F)F)C(O[Si](C)(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H26F6O2Si2/c1-14(16(18,19)20,24-26(2,3)4)15(17(21,22)23,25-27(5,6)7)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyFVLWSOOVGZSCTD-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.47
Rot. Bonds6

About (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane

(1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane (PubChem CID 10526738) has the molecular formula C17H26F6O2Si2 and a molecular weight of 432.55 g/mol. Its IUPAC name is (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
PubChem CID10526738
Molecular FormulaC17H26F6O2Si2
Molecular Weight432.55 g/mol
Exact Mass432.14
IUPAC Name(1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)(C(F)(F)F)C(O[Si](C)(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H26F6O2Si2/c1-14(16(18,19)20,24-26(2,3)4)15(17(21,22)23,25-27(5,6)7)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyFVLWSOOVGZSCTD-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane with MolForge

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Related Compounds

2-[4-[Diethyl(methyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168271253
1,1,1,3,3,3-Hexafluoro-2-(4-triethylsilylphenyl)propan-2-ol
CID 168272454
2-[4-[Cyclohexyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168278822
2-[4-[Benzyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168281096
2-[4-[Dimethyl(prop-2-enyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282113
2-[4-[Tert-butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282164
2-[4-[Dimethyl(trimethylsilyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282776
2-[4-[Dimethyl(phenyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168285849
1,1,1,3,3,3-Hexafluoro-2-(4-tripropylsilylphenyl)propan-2-ol
CID 168293391
2-[4-[Butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168269668
1,1,1,3,3,3-Hexafluoro-2-(4-trimethylsilylphenyl)propan-2-ol
CID 168274429
2-[4-[Ethenyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282075

Frequently Asked Questions

What is the IUPAC name of (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane?
The IUPAC name of (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane (CID 10526738) is (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane?
The canonical SMILES for (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane is CC(O[Si](C)(C)C)(C(F)(F)F)C(O[Si](C)(C)C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane?
The InChIKey is FVLWSOOVGZSCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F6O2Si2/c1-14(16(18,19)20,24-26(2,3)4)15(17(21,22)23,25-27(5,6)7)13-11-9-8-10-12-13/h8-12H,1-7H3.
What are the key properties of (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane?
(1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane has a molecular weight of 432.55 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,4,4,4-hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 10526738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).