triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane

C14H15F17O3Si — CID 11657151

IUPACtriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F17O3Si/c1-4-32-35(33-5-2,34-6-3)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h4-6H2,1-3H3
InChIKeyRNFSBWUZJHUNCA-UHFFFAOYSA-N
MW582.32 g/mol
LogP6.58
Rot. Bonds13

About triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane

triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane (PubChem CID 11657151) has the molecular formula C14H15F17O3Si and a molecular weight of 582.32 g/mol. Its IUPAC name is triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane.

Molecular Properties

Compound Nametriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane
PubChem CID11657151
Molecular FormulaC14H15F17O3Si
Molecular Weight582.32 g/mol
Exact Mass582.05
IUPAC Nametriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F17O3Si/c1-4-32-35(33-5-2,34-6-3)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h4-6H2,1-3H3
InChIKeyRNFSBWUZJHUNCA-UHFFFAOYSA-N
XLogP6.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.32
LogP ≤ 56.58
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(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane?
The IUPAC name of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane (CID 11657151) is triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane.
What is the SMILES notation for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane?
The canonical SMILES for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)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(F)(F)C(F)(F)F.
What is the InChIKey of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane?
The InChIKey is RNFSBWUZJHUNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F17O3Si/c1-4-32-35(33-5-2,34-6-3)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h4-6H2,1-3H3.
What are the key properties of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane?
triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane has a molecular weight of 582.32 g/mol, XLogP of 6.58, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane is sourced from PubChem (CID 11657151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).