triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane

C14H19F13O3Si — CID 22169312

IUPACtriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C14H19F13O3Si/c1-5-28-31(29-6-2,30-7-3)14(26,27)13(24,25)12(22,23)11(20,21)10(18,19)9(16,17)8(4)15/h8H,5-7H2,1-4H3
InChIKeyIERXGSMQVUHASN-UHFFFAOYSA-N
MW510.36 g/mol
LogP5.74
Rot. Bonds13

About triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane

triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane (PubChem CID 22169312) has the molecular formula C14H19F13O3Si and a molecular weight of 510.36 g/mol. Its IUPAC name is triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane.

Molecular Properties

Compound Nametriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
PubChem CID22169312
Molecular FormulaC14H19F13O3Si
Molecular Weight510.36 g/mol
Exact Mass510.09
IUPAC Nametriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C14H19F13O3Si/c1-5-28-31(29-6-2,30-7-3)14(26,27)13(24,25)12(22,23)11(20,21)10(18,19)9(16,17)8(4)15/h8H,5-7H2,1-4H3
InChIKeyIERXGSMQVUHASN-UHFFFAOYSA-N
XLogP5.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.36
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The IUPAC name of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane (CID 22169312) is triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane.
What is the SMILES notation for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The canonical SMILES for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane is CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The InChIKey is IERXGSMQVUHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F13O3Si/c1-5-28-31(29-6-2,30-7-3)14(26,27)13(24,25)12(22,23)11(20,21)10(18,19)9(16,17)8(4)15/h8H,5-7H2,1-4H3.
What are the key properties of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane has a molecular weight of 510.36 g/mol, XLogP of 5.74, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane is sourced from PubChem (CID 22169312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).