triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane

C20H38F8O6Si2 — CID 87409320

IUPACtriethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C20H38F8O6Si2/c1-7-29-35(30-8-2,31-9-3)15-13-17(21,22)19(25,26)20(27,28)18(23,24)14-16-36(32-10-4,33-11-5)34-12-6/h7-16H2,1-6H3
InChIKeyMMMQZXPEPFDRCR-UHFFFAOYSA-N
MW582.67 g/mol
LogP6.40
Rot. Bonds21

About triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane

triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane (PubChem CID 87409320) has the molecular formula C20H38F8O6Si2 and a molecular weight of 582.67 g/mol. Its IUPAC name is triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane.

Molecular Properties

Compound Nametriethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane
PubChem CID87409320
Molecular FormulaC20H38F8O6Si2
Molecular Weight582.67 g/mol
Exact Mass582.21
IUPAC Nametriethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C20H38F8O6Si2/c1-7-29-35(30-8-2,31-9-3)15-13-17(21,22)19(25,26)20(27,28)18(23,24)14-16-36(32-10-4,33-11-5)34-12-6/h7-16H2,1-6H3
InChIKeyMMMQZXPEPFDRCR-UHFFFAOYSA-N
XLogP6.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.67
LogP ≤ 56.40
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-octafluoro-8-triethoxysilyloctyl)silane?
The IUPAC name of triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane (CID 87409320) is triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane.
What is the SMILES notation for triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane?
The canonical SMILES for triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane is CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane?
The InChIKey is MMMQZXPEPFDRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F8O6Si2/c1-7-29-35(30-8-2,31-9-3)15-13-17(21,22)19(25,26)20(27,28)18(23,24)14-16-36(32-10-4,33-11-5)34-12-6/h7-16H2,1-6H3.
What are the key properties of triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane?
triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-triethoxysilyloctyl)silane has a molecular weight of 582.67 g/mol, XLogP of 6.40, 21 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-octafluoro-8-triethoxysilyloctyl)silane is sourced from PubChem (CID 87409320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).