tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C22H39F13O7Si2 — CID 170853074

IUPACtetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.CCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H19F13O3Si.C8H20O4Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;1-5-9-13(10-6-2,11-7-3)12-8-4/h4-8H2,1-3H3;5-8H2,1-4H3
InChIKeyJSBGMGIUVTXMPL-UHFFFAOYSA-N
MW718.69 g/mol
LogP7.73
Rot. Bonds21

About tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 170853074) has the molecular formula C22H39F13O7Si2 and a molecular weight of 718.69 g/mol. Its IUPAC name is tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Nametetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID170853074
Molecular FormulaC22H39F13O7Si2
Molecular Weight718.69 g/mol
Exact Mass718.20
IUPAC Nametetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.CCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H19F13O3Si.C8H20O4Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;1-5-9-13(10-6-2,11-7-3)12-8-4/h4-8H2,1-3H3;5-8H2,1-4H3
InChIKeyJSBGMGIUVTXMPL-UHFFFAOYSA-N
XLogP7.73
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.69
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltriethoxysilan
CID 103991
1H,1H,2H,2H-Perfluorodecyltriethoxysilane
CID 145374
Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl)-
CID 2782916
Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
CID 2782917
Diethoxy(2-(perfluorooctyl)-1-ethyl)methylsilane
CID 15806690
Triethoxy(henicosafluorodecyl)silane
CID 21879873
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltriisopropoxysilane
CID 23160471
1H,1H,2H,2H-Perfluorodecyl(tri-iso-propoxy)silane
CID 23160473
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)(tripropoxy)silane
CID 23160487
1,6-Bis(trimethoxysilanylethyl)perfluorohexane
CID 60021741
1,8-Bis(triethoxysilyl)octane
CID 22559815
1,10-Bis(triethoxysilyl)decane
CID 14439044

Frequently Asked Questions

What is the IUPAC name of tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 170853074) is tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.CCO[Si](OCC)(OCC)OCC.
What is the InChIKey of tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is JSBGMGIUVTXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F13O3Si.C8H20O4Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;1-5-9-13(10-6-2,11-7-3)12-8-4/h4-8H2,1-3H3;5-8H2,1-4H3.
What are the key properties of tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 718.69 g/mol, XLogP of 7.73, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl silicate;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 170853074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).