tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane

C27H38F6O2Si2 — CID 126970744

IUPACtert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C27H38F6O2Si2/c1-23(2,3)36(7,8)34-21-15-11-19(12-16-21)25(26(28,29)30,27(31,32)33)20-13-17-22(18-14-20)35-37(9,10)24(4,5)6/h11-18H,1-10H3
InChIKeyZABJYPWSGNSHFB-UHFFFAOYSA-N
MW564.76 g/mol
LogP9.87
Rot. Bonds6

About tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane

tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane (PubChem CID 126970744) has the molecular formula C27H38F6O2Si2 and a molecular weight of 564.76 g/mol. Its IUPAC name is tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane
PubChem CID126970744
Molecular FormulaC27H38F6O2Si2
Molecular Weight564.76 g/mol
Exact Mass564.23
IUPAC Nametert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C27H38F6O2Si2/c1-23(2,3)36(7,8)34-21-15-11-19(12-16-21)25(26(28,29)30,27(31,32)33)20-13-17-22(18-14-20)35-37(9,10)24(4,5)6/h11-18H,1-10H3
InChIKeyZABJYPWSGNSHFB-UHFFFAOYSA-N
XLogP9.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.76
LogP ≤ 59.87
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 tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane (CID 126970744) is tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane?
The InChIKey is ZABJYPWSGNSHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F6O2Si2/c1-23(2,3)36(7,8)34-21-15-11-19(12-16-21)25(26(28,29)30,27(31,32)33)20-13-17-22(18-14-20)35-37(9,10)24(4,5)6/h11-18H,1-10H3.
What are the key properties of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane?
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane has a molecular weight of 564.76 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 126970744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).