diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane

C18H24F8O3Si — CID 87256323

IUPACdiethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane
SMILESCCO[Si](CCCOC(F)(F)C(F)(F)C(F)CC(F)(F)F)(OCC)c1ccccc1
InChIInChI=1S/C18H24F8O3Si/c1-3-28-30(29-4-2,14-9-6-5-7-10-14)12-8-11-27-18(25,26)17(23,24)15(19)13-16(20,21)22/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3
InChIKeyFZFUHRFBVKSMGR-UHFFFAOYSA-N
MW468.46 g/mol
LogP5.33
Rot. Bonds13

About diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane

diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane (PubChem CID 87256323) has the molecular formula C18H24F8O3Si and a molecular weight of 468.46 g/mol. Its IUPAC name is diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane.

Molecular Properties

Compound Namediethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane
PubChem CID87256323
Molecular FormulaC18H24F8O3Si
Molecular Weight468.46 g/mol
Exact Mass468.14
IUPAC Namediethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane
SMILESCCO[Si](CCCOC(F)(F)C(F)(F)C(F)CC(F)(F)F)(OCC)c1ccccc1
InChIInChI=1S/C18H24F8O3Si/c1-3-28-30(29-4-2,14-9-6-5-7-10-14)12-8-11-27-18(25,26)17(23,24)15(19)13-16(20,21)22/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3
InChIKeyFZFUHRFBVKSMGR-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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Frequently Asked Questions

What is the IUPAC name of diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane?
The IUPAC name of diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane (CID 87256323) is diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane.
What is the SMILES notation for diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane?
The canonical SMILES for diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane is CCO[Si](CCCOC(F)(F)C(F)(F)C(F)CC(F)(F)F)(OCC)c1ccccc1.
What is the InChIKey of diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane?
The InChIKey is FZFUHRFBVKSMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F8O3Si/c1-3-28-30(29-4-2,14-9-6-5-7-10-14)12-8-11-27-18(25,26)17(23,24)15(19)13-16(20,21)22/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3.
What are the key properties of diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane?
diethoxy-[3-(1,1,2,2,3,5,5,5-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-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane is sourced from PubChem (CID 87256323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).