triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane

C14H24F8O4Si — CID 53235631

IUPACtriethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane
SMILESCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC)OCC
InChIInChI=1S/C14H24F8O4Si/c1-4-24-27(25-5-2,26-6-3)9-7-8-23-10-12(17,18)14(21,22)13(19,20)11(15)16/h11H,4-10H2,1-3H3
InChIKeyGKHGWQFAJUGVNT-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.61
Rot. Bonds15

About triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane

triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane (PubChem CID 53235631) has the molecular formula C14H24F8O4Si and a molecular weight of 436.41 g/mol. Its IUPAC name is triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane
PubChem CID53235631
Molecular FormulaC14H24F8O4Si
Molecular Weight436.41 g/mol
Exact Mass436.13
IUPAC Nametriethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane
SMILESCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC)OCC
InChIInChI=1S/C14H24F8O4Si/c1-4-24-27(25-5-2,26-6-3)9-7-8-23-10-12(17,18)14(21,22)13(19,20)11(15)16/h11H,4-10H2,1-3H3
InChIKeyGKHGWQFAJUGVNT-UHFFFAOYSA-N
XLogP4.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane?
The IUPAC name of triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane (CID 53235631) is triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane.
What is the SMILES notation for triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane?
The canonical SMILES for triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane is CCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane?
The InChIKey is GKHGWQFAJUGVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F8O4Si/c1-4-24-27(25-5-2,26-6-3)9-7-8-23-10-12(17,18)14(21,22)13(19,20)11(15)16/h11H,4-10H2,1-3H3.
What are the key properties of triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane?
triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane has a molecular weight of 436.41 g/mol, XLogP of 4.61, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]silane is sourced from PubChem (CID 53235631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).