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

C17H32F8O6Si2 — CID 59661327

IUPACtriethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC)(OCC)OCC
InChIInChI=1S/C17H32F8O6Si2/c1-7-29-33(30-8-2,31-9-3)13-11-15(20,21)17(24,25)16(22,23)14(18,19)10-12-32(26-4,27-5)28-6/h7-13H2,1-6H3
InChIKeyLESQNLKATADAKR-UHFFFAOYSA-N
MW540.59 g/mol
LogP5.23
Rot. Bonds18

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

triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane (PubChem CID 59661327) has the molecular formula C17H32F8O6Si2 and a molecular weight of 540.59 g/mol. Its IUPAC name is triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane.

Molecular Properties

Compound Nametriethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane
PubChem CID59661327
Molecular FormulaC17H32F8O6Si2
Molecular Weight540.59 g/mol
Exact Mass540.16
IUPAC Nametriethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC)(OCC)OCC
InChIInChI=1S/C17H32F8O6Si2/c1-7-29-33(30-8-2,31-9-3)13-11-15(20,21)17(24,25)16(22,23)14(18,19)10-12-32(26-4,27-5)28-6/h7-13H2,1-6H3
InChIKeyLESQNLKATADAKR-UHFFFAOYSA-N
XLogP5.23
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 55.23
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-trimethoxysilyloctyl)silane?
The IUPAC name of triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane (CID 59661327) is triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane.
What is the SMILES notation for triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane?
The canonical SMILES for triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane is CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC)(OCC)OCC.
What is the InChIKey of triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane?
The InChIKey is LESQNLKATADAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F8O6Si2/c1-7-29-33(30-8-2,31-9-3)13-11-15(20,21)17(24,25)16(22,23)14(18,19)10-12-32(26-4,27-5)28-6/h7-13H2,1-6H3.
What are the key properties of triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane?
triethoxy-(3,3,4,4,5,5,6,6-octafluoro-8-trimethoxysilyloctyl)silane has a molecular weight of 540.59 g/mol, XLogP of 5.23, 18 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-trimethoxysilyloctyl)silane is sourced from PubChem (CID 59661327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).