triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane

C22H32F20O6Si2 — CID 87104204

IUPACtriethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.CO[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C16H19F17O3Si.C6H13F3O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33;1-10-13(11-2,12-3)5-4-6(7,8)9/h4-8H2,1-3H3;4-5H2,1-3H3
InChIKeyIXTUKEMNEXGCBU-UHFFFAOYSA-N
MW828.62 g/mol
LogP9.25
Rot. Bonds20

About triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane

triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane (PubChem CID 87104204) has the molecular formula C22H32F20O6Si2 and a molecular weight of 828.62 g/mol. Its IUPAC name is triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Nametriethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane
PubChem CID87104204
Molecular FormulaC22H32F20O6Si2
Molecular Weight828.62 g/mol
Exact Mass828.14
IUPAC Nametriethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.CO[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C16H19F17O3Si.C6H13F3O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33;1-10-13(11-2,12-3)5-4-6(7,8)9/h4-8H2,1-3H3;4-5H2,1-3H3
InChIKeyIXTUKEMNEXGCBU-UHFFFAOYSA-N
XLogP9.25
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.62
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane?
The IUPAC name of triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane (CID 87104204) is triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane?
The canonical SMILES for triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane is CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.CO[Si](CCC(F)(F)F)(OC)OC.
What is the InChIKey of triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane?
The InChIKey is IXTUKEMNEXGCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F17O3Si.C6H13F3O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33;1-10-13(11-2,12-3)5-4-6(7,8)9/h4-8H2,1-3H3;4-5H2,1-3H3.
What are the key properties of triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane?
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane has a molecular weight of 828.62 g/mol, XLogP of 9.25, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trimethoxy(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 87104204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).