4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane

C23H26F8O2Si — CID 91733060

IUPAC4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26F8O2Si/c1-17(2)10-9-15-32-34(18-11-5-3-6-12-18,19-13-7-4-8-14-19)33-16-21(26,27)23(30,31)22(28,29)20(24)25/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3
InChIKeyAXPMGYBUWOLKAN-UHFFFAOYSA-N
MW514.53 g/mol
LogP5.88
Rot. Bonds13

About 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane

4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane (PubChem CID 91733060) has the molecular formula C23H26F8O2Si and a molecular weight of 514.53 g/mol. Its IUPAC name is 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane.

Molecular Properties

Compound Name4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane
PubChem CID91733060
Molecular FormulaC23H26F8O2Si
Molecular Weight514.53 g/mol
Exact Mass514.16
IUPAC Name4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26F8O2Si/c1-17(2)10-9-15-32-34(18-11-5-3-6-12-18,19-13-7-4-8-14-19)33-16-21(26,27)23(30,31)22(28,29)20(24)25/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3
InChIKeyAXPMGYBUWOLKAN-UHFFFAOYSA-N
XLogP5.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.53
LogP ≤ 55.88
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane?
The IUPAC name of 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane (CID 91733060) is 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane.
What is the SMILES notation for 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane?
The canonical SMILES for 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane is CC(C)CCCO[Si](OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane?
The InChIKey is AXPMGYBUWOLKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F8O2Si/c1-17(2)10-9-15-32-34(18-11-5-3-6-12-18,19-13-7-4-8-14-19)33-16-21(26,27)23(30,31)22(28,29)20(24)25/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3.
What are the key properties of 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane?
4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane has a molecular weight of 514.53 g/mol, XLogP of 5.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentoxy-(2,2,3,3,4,4,5,5-octafluoropentoxy)-diphenylsilane is sourced from PubChem (CID 91733060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).