triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane

C18H38F4O6Si2 — CID 87408854

IUPACtriethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C18H38F4O6Si2/c1-7-23-29(24-8-2,25-9-3)15-13-17(19,20)18(21,22)14-16-30(26-10-4,27-11-5)28-12-6/h7-16H2,1-6H3
InChIKeyCLNINTYKLBFSMM-UHFFFAOYSA-N
MW482.66 g/mol
LogP5.13
Rot. Bonds19

About triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane

triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane (PubChem CID 87408854) has the molecular formula C18H38F4O6Si2 and a molecular weight of 482.66 g/mol. Its IUPAC name is triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane.

Molecular Properties

Compound Nametriethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane
PubChem CID87408854
Molecular FormulaC18H38F4O6Si2
Molecular Weight482.66 g/mol
Exact Mass482.21
IUPAC Nametriethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C18H38F4O6Si2/c1-7-23-29(24-8-2,25-9-3)15-13-17(19,20)18(21,22)14-16-30(26-10-4,27-11-5)28-12-6/h7-16H2,1-6H3
InChIKeyCLNINTYKLBFSMM-UHFFFAOYSA-N
XLogP5.13
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 55.13
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-tetrafluoro-6-triethoxysilylhexyl)silane?
The IUPAC name of triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane (CID 87408854) is triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane.
What is the SMILES notation for triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane?
The canonical SMILES for triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane is CCO[Si](CCC(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane?
The InChIKey is CLNINTYKLBFSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38F4O6Si2/c1-7-23-29(24-8-2,25-9-3)15-13-17(19,20)18(21,22)14-16-30(26-10-4,27-11-5)28-12-6/h7-16H2,1-6H3.
What are the key properties of triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane?
triethoxy-(3,3,4,4-tetrafluoro-6-triethoxysilylhexyl)silane has a molecular weight of 482.66 g/mol, XLogP of 5.13, 19 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-tetrafluoro-6-triethoxysilylhexyl)silane is sourced from PubChem (CID 87408854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).