diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane

C18H24F8O3Si — CID 87256321

IUPACdiethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
SMILESCCO[Si](CCCOC(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(OCC)c1ccccc1
InChIInChI=1S/C18H24F8O3Si/c1-4-28-30(29-5-2,14-10-7-6-8-11-14)13-9-12-27-18(25,26)17(23,24)16(21,22)15(3,19)20/h6-8,10-11H,4-5,9,12-13H2,1-3H3
InChIKeyJUFIYTKXQWWLGS-UHFFFAOYSA-N
MW468.46 g/mol
LogP5.33
Rot. Bonds13

About diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane

diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane (PubChem CID 87256321) has the molecular formula C18H24F8O3Si and a molecular weight of 468.46 g/mol. Its IUPAC name is diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane.

Molecular Properties

Compound Namediethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
PubChem CID87256321
Molecular FormulaC18H24F8O3Si
Molecular Weight468.46 g/mol
Exact Mass468.14
IUPAC Namediethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
SMILESCCO[Si](CCCOC(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(OCC)c1ccccc1
InChIInChI=1S/C18H24F8O3Si/c1-4-28-30(29-5-2,14-10-7-6-8-11-14)13-9-12-27-18(25,26)17(23,24)16(21,22)15(3,19)20/h6-8,10-11H,4-5,9,12-13H2,1-3H3
InChIKeyJUFIYTKXQWWLGS-UHFFFAOYSA-N
XLogP5.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

diethoxy-phenyl-(3-propoxypropyl)silane
CID 141085456
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
triethoxy-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propyl]silane
CID 71410842
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
CID 53432346
diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
CID 157211120
ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane
CID 87972561
butyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane
CID 66773716
2-[diethoxy(phenyl)silyl]ethyl-ethenyl-diethylsilane
CID 59357397
3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane
CID 59630445
diethoxy-[2-(oxiran-2-ylmethoxy)ethyl]-phenylsilane
CID 139765334
fluorosilane;triethoxy(phenyl)silane
CID 174494490

Frequently Asked Questions

What is the IUPAC name of diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane?
The IUPAC name of diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane (CID 87256321) is diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane.
What is the SMILES notation for diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane?
The canonical SMILES for diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane is CCO[Si](CCCOC(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(OCC)c1ccccc1.
What is the InChIKey of diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane?
The InChIKey is JUFIYTKXQWWLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F8O3Si/c1-4-28-30(29-5-2,14-10-7-6-8-11-14)13-9-12-27-18(25,26)17(23,24)16(21,22)15(3,19)20/h6-8,10-11H,4-5,9,12-13H2,1-3H3.
What are the key properties of diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane?
diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane has a molecular weight of 468.46 g/mol, XLogP of 5.33, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane is sourced from PubChem (CID 87256321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).