2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane

C22H26F6O2Si — CID 91698383

IUPAC2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26F6O2Si/c1-17(2)10-9-15-29-31(18-11-5-3-6-12-18,19-13-7-4-8-14-19)30-16-21(24,25)20(23)22(26,27)28/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3
InChIKeyQEQVCUCWBJOCTF-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.25
Rot. Bonds11

About 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane

2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane (PubChem CID 91698383) has the molecular formula C22H26F6O2Si and a molecular weight of 464.52 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane
PubChem CID91698383
Molecular FormulaC22H26F6O2Si
Molecular Weight464.52 g/mol
Exact Mass464.16
IUPAC Name2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26F6O2Si/c1-17(2)10-9-15-29-31(18-11-5-3-6-12-18,19-13-7-4-8-14-19)30-16-21(24,25)20(23)22(26,27)28/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3
InChIKeyQEQVCUCWBJOCTF-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.25
H-Bond Donors ≤ 50
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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Related Compounds

tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane
CID 176438012
Dibutoxy(diphenyl)silane
CID 13637536
1-Phenyl-3-dimethyl(pentafluorophenyl)silyloxypropane
CID 576398
Silane, diphenylisohexyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91698288
Silane, diphenylpentyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699427
Silane, diphenylethoxy(1,1,1-trifluoroprop-2-yloxy)-
CID 91703876
Silane, diphenyldi(2-fluoroethoxy)-
CID 91703880
Silane, diphenyl(2-fluoroethoxy)octyloxy-
CID 91717507
Silane, diphenyl(2-fluoroethoxy)isohexyloxy-
CID 91717509
Silane, diphenylbutoxy(1,1,1-trifluoroprop-2-yloxy)-
CID 91717510
Silane, diphenyl(2-fluoroethoxy)hexyloxy-
CID 91717511

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane (CID 91698383) is 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane is CC(C)CCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane?
The InChIKey is QEQVCUCWBJOCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F6O2Si/c1-17(2)10-9-15-29-31(18-11-5-3-6-12-18,19-13-7-4-8-14-19)30-16-21(24,25)20(23)22(26,27)28/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3.
What are the key properties of 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane?
2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane has a molecular weight of 464.52 g/mol, XLogP of 5.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluorobutoxy-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91698383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).