triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane

C17H23F15O4Si — CID 18466366

IUPACtriethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
SMILESCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C17H23F15O4Si/c1-4-34-37(35-5-2,36-6-3)9-7-8-33-10-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h4-10H2,1-3H3
InChIKeyJWUYUKRDPOCBTL-UHFFFAOYSA-N
MW604.42 g/mol
LogP6.82
Rot. Bonds17

About triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane

triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (PubChem CID 18466366) has the molecular formula C17H23F15O4Si and a molecular weight of 604.42 g/mol. Its IUPAC name is triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
PubChem CID18466366
Molecular FormulaC17H23F15O4Si
Molecular Weight604.42 g/mol
Exact Mass604.11
IUPAC Nametriethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
SMILESCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C17H23F15O4Si/c1-4-34-37(35-5-2,36-6-3)9-7-8-33-10-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h4-10H2,1-3H3
InChIKeyJWUYUKRDPOCBTL-UHFFFAOYSA-N
XLogP6.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.42
LogP ≤ 56.82
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-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The IUPAC name of triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (CID 18466366) is triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane.
What is the SMILES notation for triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The canonical SMILES for triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is CCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The InChIKey is JWUYUKRDPOCBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F15O4Si/c1-4-34-37(35-5-2,36-6-3)9-7-8-33-10-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h4-10H2,1-3H3.
What are the key properties of triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane has a molecular weight of 604.42 g/mol, XLogP of 6.82, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is sourced from PubChem (CID 18466366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).